SCHEMBL4360432

SCHEMBL4360432

NS(=O)(=O)c1ccc(Nc2ncc3[nH]c(OCC4CCCCC4)nc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.60
CDK1 P06493 13/20 0.60
CCNB1 P14635 11/20 0.60
CCNA2 P20248 11/20 0.60
CCNA1 P78396 10/20 0.60
CCNB2 O95067 6/20 0.60
CCNB3 Q8WWL7 6/20 0.60
CCNT1 O60563 5/20 0.60
CDK7 P50613 5/20 0.60
CDK9 P50750 5/20 0.60
CCNH P51946 5/20 0.60
CDK5 Q00535 4/20 0.60
GSK3B P49841 2/20 0.60
ROCK2 O75116 1/20 0.60
CDK4 P11802 1/20 0.60
CCND1 P24385 1/20 0.60
CCNE1 P24864 1/20 0.60
MNAT1 P51948 1/20 0.60
DYRK1A Q13627 1/20 0.60
CDK5R1 Q15078 1/20 0.60

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
SCHEMBL31061577 0.78 CDK2 (0.60) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL24477949 0.77 CDK2 (0.66) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL24477842 0.75 CDK2 (0.64) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL2170816 0.75 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL30123470 0.75 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4264549 0.75 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL3206747 0.75 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL24477955 0.73 CDK2 (0.63) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL28654590 0.72 CDK2 (0.54) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12589612 0.72 CDK2 (0.75) CDK2CDK1CCNB1CCNA2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 EP disclosed
WO-2009116840-A2 CHEMICAL REAGENTS REGULATING STEM CELL FATE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-09-24 WO disclosed