SCHEMBL3046544

SCHEMBL3046544

C=C(C)CCNc1nc(SC)nc2nc[nH]c12.COc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
IP6K1 Q92551 8/20 0.39
MAPT P10636 2/20 0.38
STAT3 P40763 1/20 0.37
LRRK2 Q5S007 1/20 0.36
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27616663 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL29404312 0.84 CYP3A4 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL101669 0.84 CYP3A4 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL16341910 0.81 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL1271566 0.78 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL28996831 0.74 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL29249244 0.70 CYP3A4 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL3907002 0.69 CDK1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL30150726 0.69 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19IP6K1
SCHEMBL28117129 0.69 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115715797-A Compositions and methods for treating and preventing macular degeneration 建新公司 2023-02-28 CN disclosed
US-7709220-B2 monitoring the efficacy of a BAFF-R (a B-cell activating factor belonging to the Tumor Necrosis Factor family) antagonist in the treatment of a disease or disorder associated with aberrant levels of B-cells or B-cell activity BIOGEN IDEC MA INC. (US) 2010-05-04 US disclosed
US-7638327-B2 polypeptides related to a receptor to BAFF (a B-cell activating factor belonging to the Tumor Necrosis Factor family, which is associated with expression of B-cells and immunoglobulins); treatment of cancers, lymphomas, autoimmune diseases related to B-cells BIOGEN IDEC MA INC. (US) 2009-12-29 US disclosed
US-20080050372-A1 INHIBITION OF ALPHA-2 HS GLYCOPROTEIN (AHSG/FETUIN) IN OBESITY AND INSULIN CONTROL OF GLUCOSE HOMEOSTASIS WAYNE STATE UNIVERSITY (US) 2008-02-28 US disclosed
US-20060240517-A1 polypeptides related to a receptor to BAFF (a B-cell activating factor belonging to the Tumor Necrosis Factor family, which is associated with expression of B-cells and immunoglobulins); treatment of cancers, lymphomas, autoimmune diseases related to B-cells BIOGEN MA INC. 2006-10-26 US disclosed
US-20060240520-A1 monitoring the efficacy of a BAFF-R (a B-cell activating factor belonging to the Tumor Necrosis Factor family) antagonist in the treatment of a disease or disorder associated with aberrant levels of B-cells or B-cell activity BIOGEN MA INC. 2006-10-26 US disclosed
US-20030110519-A1 Cognition activators, sleep disorders, eating disorders, psychological disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-12 US disclosed
US-20020168708-A1 Nucleotide sequences coding polypeptide for use in the treatment of parkinson's, chronic obstructive airways, irritable bowel syndrome, muscle and urogenital disorders MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed