SCHEMBL1015978

SCHEMBL1015978

NCC1CCCCN1c1nc(Nc2ccc(N3CCN(CC=O)CC3)cc2)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.41
CDK4 P11802 7/20 0.40
STAT6 P42226 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LRRK2 Q5S007 3/20 0.40
CCND1 P24385 5/20 0.40
CDK2 P24941 4/20 0.40
CCNE1 P24864 3/20 0.40
CCNA2 P20248 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
BRD4 O60885 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
RPS6KA6 Q9UK32 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL1019273 0.85 SYK (0.56) SYKCDK4CCND1CDK2CCNE1
SCHEMBL1018052 0.84 SYK (0.51) SYKSTAT6LRRK2BRD4FLT3
SCHEMBL1018466 0.82 PTK2 (0.46) SYKSTAT6LRRK2BRD4FLT3
SCHEMBL1017856 0.78 STK17A (0.48) SYKCDK4STAT6LRRK2CCND1
SCHEMBL1021379 0.76 SYK (0.51) SYKLRRK2CDK2CCNA2CCND3
SCHEMBL1073636 0.76 SYK (0.47) SYK
SCHEMBL4307181 0.74 SYK (0.51) SYKCDK4CCND1CDK2CCNE1
SCHEMBL1070140 0.72 ALK (0.49) SYKCDK4CCND1CDK2CCNE1
SCHEMBL7465334 0.72 CDK4 (0.56) SYKCDK4CCND1CDK2CCNE1
SCHEMBL7460253 0.70 CDK4 (0.72) CDK4CCND1CDK2CCNE1CCNA2

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