SCHEMBL6231708

SCHEMBL6231708

N#Cc1cnc2cc(-c3ccc(CN4CCOCC4)cc3)sc2c1Nc1ccc(Oc2ccccc2)cc1.N#Cc1cnc2cc(-c3ccc(CO)cc3)sc2c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.77
MAP2K1 Q02750 5/20 0.55
MAPK13 O15264 2/20 0.55
MAP3K8 P41279 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK14 Q16539 2/20 0.55
RAF1 P04049 3/20 0.55
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCD Q05655 1/20 0.51
ABL1 P00519 1/20 0.51
ABL2 P42684 1/20 0.51
EGFR P00533 1/20 0.46

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
SCHEMBL4901174 0.96 SRC (0.83) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL4900882 0.89 SRC (0.72) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL4892616 0.87 SRC (1.00) SRCMAP2K1RAF1PRKCQPRKCD
Methylpiperazine SCHEMBL6315124 0.83 SRC (0.91) SRCMAP2K1RAF1PRKCQPRKCD
SCHEMBL3229498 0.78 MAP2K1 (0.67) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL3219501 0.78 MAP2K1 (0.69) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL4901161 0.76 SRC (0.65) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL3223956 0.76 MAP2K1 (0.71) SRCMAP2K1MAPK13MAP3K8MAPK12
SCHEMBL4900669 0.76 SRC (0.86) SRCMAP2K1RAF1ABL1ABL2
SCHEMBL3229392 0.75 MAP2K1 (0.69) SRCMAP2K1MAPK13MAP3K8MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565474-A2 THIENO[3,2-B]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2005-08-24 EP disclosed
WO-2004048386-A9 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2005-07-14 WO disclosed
WO-2004048386-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2004-06-10 WO disclosed