SCHEMBL15533972

SCHEMBL15533972

COc1ccc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.53
BCR P11274 13/20 0.53
SYK P43405 1/20 0.48
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15533969 0.91 CYP1A1 (0.48) ABL1BCRSYKFAAHTP53
SCHEMBL15533691 0.86 MAPT (0.47) ABL1BCRKDM4ETP53MAPT
SCHEMBL15534259 0.85 TRPV1 (0.57) ABL1BCRFAAH
SCHEMBL15533871 0.85 TP53 (0.51) ABL1BCRSYKKDM4EFAAH
SCHEMBL15533818 0.84 CYP2D6 (0.50) SYKADORA3TP53MAPTCCNT1
SCHEMBL15534464 0.84 ABL1 (0.46) ABL1BCRSYKTP53MAPT
SCHEMBL15534267 0.84 TRPV1 (0.56) ABL1BCRSYKFAAHTP53
SCHEMBL15533746 0.81 SYK (0.48) ABL1BCRSYKKDM4EFAAH
SCHEMBL15534101 0.81 TRPV1 (0.47) ABL1BCRKDM4EFAAHTP53
SCHEMBL15534734 0.80 ABL1 (0.43) ABL1BCRSYKKDM4EMAPT

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-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed