SCHEMBL13844313

SCHEMBL13844313

C=C(NC(c1ccncc1)c1ccc(OC)cc1)c1ccc2c(C#Cc3cncn3C)n[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ROCK2 O75116 3/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL12269673 0.91 ROCK2 (0.39) ATMHDAC6ROCK2GSK3BDYRK1A
SCHEMBL12269784 0.81 AKT1 (0.40) MAPK1
SCHEMBL12269661 0.76 MAP2K4 (0.42) DYRK1AMEN1KMT2A
SCHEMBL12317853 0.75 ROCK2 (0.43) ROCK2GSK3BDYRK1AMAPK1ROCK1
SCHEMBL12269662 0.73 TDP1 (0.38) DYRK1AKMT2AMAPK1
SCHEMBL12269788 0.66 GSK3B (0.45) GSK3BDYRK1AMEN1KMT2A
SCHEMBL12269795 0.66 ATM (0.49) ATMMEN1KMT2A
SCHEMBL12269971 0.66 HPGD (0.45) ROCK2MAPK1
SCHEMBL12269677 0.66 KDM4E (0.48) ROCK2MEN1KMT2AMAPK1ROCK1
SCHEMBL12269735 0.66 TDP1 (0.46) ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009059030-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-07 — — WO disclosed
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