SCHEMBL13624650

SCHEMBL13624650

NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2nc(N)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.79
MAPK3 P27361 1/20 0.69
MAPK1 P28482 1/20 0.69
KCNH2 Q12809 1/20 0.69
AURKB Q96GD4 1/20 0.69

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
SCHEMBL1354050 0.90 SYK (0.78) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1354018 0.89 SYK (1.00) SYK
SCHEMBL1353363 0.88 SYK (1.00) SYK
SCHEMBL1353235 0.87 SYK (1.00) SYK
SCHEMBL1354394 0.87 SYK (0.84) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1352100 0.86 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1351780 0.86 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14038888 0.85 SYK (0.84) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1354235 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1352154 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB

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-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed