SCHEMBL2729199

SCHEMBL2729199

NC(=O)c1c(Nc2cccc(-c3ccccn3)c2)nc(N[C@H](CC2CC2)C(N)=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.47
BRD4 O60885 1/20 0.42
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
CDK1 P06493 2/20 0.36
CSNK1A1 P48729 2/20 0.36
CDK5 Q00535 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK5R1 Q15078 1/20 0.36
GSK3B P49841 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL2729206 1.00 SYK (0.47) SYKBRD4EP300CREBBPCDK1
SCHEMBL10272160 0.88 SYK (0.44) SYKBRD4EP300CREBBPCDK1
SCHEMBL10271911 0.87 SYK (0.54) SYKCDK1CSNK1A1CDK5CCNT1
SCHEMBL10272173 0.83 SYK (0.44) SYKCDK1CSNK1A1CDK5CCNT1
SCHEMBL2718542 0.83 SYK (0.44) SYKBRD4EP300CREBBPCDK1
SCHEMBL2728255 0.82 SYK (0.47) SYKBRD4EP300CREBBPCDK1
SCHEMBL2728248 0.82 SYK (0.47) SYKBRD4EP300CREBBPCDK1
SCHEMBL10271848 0.78 SYK (0.65) SYK
SCHEMBL10271724 0.77 SYK (0.52) SYKCDK5CCNA2CDK2CDK5R1
SCHEMBL2720146 0.75 SYK (0.44) SYK

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
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed