SCHEMBL1017856

SCHEMBL1017856

O=CCN1CCN(c2ccc(Nc3ncc(F)c(N4CCNCC4)n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.48
STK17B O94768 1/20 0.48
CDK4 P11802 6/20 0.47
CCND1 P24385 5/20 0.47
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
STAT6 P42226 2/20 0.47
LRRK2 Q5S007 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
WEE1 P30291 1/20 0.47
FLT3 P36888 1/20 0.46
SYK P43405 2/20 0.46
ACVR1 Q04771 1/20 0.46
PTK2 Q05397 1/20 0.45
CCND2 P30279 2/20 0.44
CCND3 P30281 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44

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
SCHEMBL1018466 0.87 PTK2 (0.46) STAT6LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL1018052 0.85 SYK (0.51) STAT6LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL4383043 0.81 ALK (0.60) SYKPTK2
SCHEMBL27930650 0.81 SYK (0.55) STK17ASTK17BCDK4CCND1CCNA2
SCHEMBL1015978 0.78 SYK (0.41) CDK4CCND1CCNA2CDK2STAT6
SCHEMBL1021379 0.74 SYK (0.51) STK17ASTK17BCCNA2CDK2LRRK2
SCHEMBL2571469 0.73 SYK (0.50) CDK4CCND1LRRK2FLT3SYK
SCHEMBL1018622 0.71 TTK (0.52) PTK2
SCHEMBL13549595 0.71 RAB9A (0.48) CDK2STAT6LRRK2NPC1RAB9A
SCHEMBL1016309 0.71 TTK (0.51) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed