SCHEMBL2037318

SCHEMBL2037318

CC1=C(C)N(C)C(C)=C(C)C1c1ccc2[nH]nc(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.45
▸ PDPK1 O15530 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CDK8 P49336 6/20 0.38
▸ CCNC P24863 5/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ PRKD3 O94806 3/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ DYRK3 O43781 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CDK1 P06493 2/20 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
SCHEMBL2009613 0.82 MET (0.55) JAK2PDPK1KDM4EMAPK1RPS6KA3
SCHEMBL2013526 0.72 MET (0.44) JAK2PDPK1KDM4ECDK8CCNC
SCHEMBL2011596 0.71 MET (0.44) JAK2PDPK1KDM4EGAATYK2
SCHEMBL4994801 0.71 MET (0.55) KDM4ERPS6KA5MAPK1RPS6KA3
SCHEMBL13685509 0.71 MET (0.44) JAK2PDPK1KDM4ECDK8CCNC
SCHEMBL1414765 0.70 MET (0.66) JAK2PDPK1KDM4EMAPK1RPS6KA3
SCHEMBL29521013 0.70 JAK2 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL3657599 0.70 JAK2 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL2010339 0.70 MET (0.53) KDM4ERPS6KA5MAPK1RPS6KA3
SCHEMBL14486911 0.69 JAK2 (0.50) JAK2PDPK1KDM4ECYP3A4GAA

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-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 — — WO claimed
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