SCHEMBL1127703

SCHEMBL1127703

COc1ccccc1-c1c[nH]cc1-c1cn(-c2cccnc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCG P05129 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR3A P46098 7/20 0.41
MAOB P27338 1/20 0.39
QPCT Q16769 2/20 0.39
DYRK1A Q13627 1/20 0.38
SRC P12931 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL1127716 0.81 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL6242476 0.77 GSK3B (0.44) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL27502357 0.73 DYRK1A (0.49) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL11096354 0.72 CYP2E1 (0.51) GSK3BPRKCBPRKCAHTR3ADYRK1A
SCHEMBL2955240 0.71 GSK3B (0.57) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL13890161 0.70 KDM4E (0.58) GSK3BPRKCAPOLBKMT2A
SCHEMBL27490560 0.68 RAB9A (0.51) GAAFYN
SCHEMBL13013275 0.67 NR4A2 (0.56) HTR3A
SCHEMBL13670446 0.67 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL15444636 0.66 HTR3A (0.55) GSK3BPRKCBPRKCAHTR3AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO disclosed