SCHEMBL15533429

SCHEMBL15533429

CC(=O)Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.53
ABL1 P00519 10/20 0.47
BCR P11274 9/20 0.46
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL15534267 0.83 TRPV1 (0.56) SYKABL1BCRMAPTTRPV1
SCHEMBL15534259 0.82 TRPV1 (0.57) ABL1BCRTRPV1
SCHEMBL15533871 0.81 TP53 (0.51) SYKABL1BCRMEN1MAPT
SCHEMBL1013886 0.81 ABL1 (0.67) ABL1BCRMEN1KMT2ATRPV1
SCHEMBL15534464 0.81 ABL1 (0.46) SYKABL1BCRMAPTTRPV1
SCHEMBL15533972 0.80 ABL1 (0.53) SYKABL1BCRMAPTKDM4E
SCHEMBL15534101 0.80 TRPV1 (0.47) ABL1BCRMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL15533549 0.79 TRPV1 (0.47) ABL1BCRMEN1MAPTKMT2A
Bromide SCHEMBL15534396 0.79 TRPV1 (0.47) ABL1BCRMEN1MAPTKMT2A
SCHEMBL15534503 0.79 ABL1 (0.48) ABL1BCRMEN1KMT2ATRPV1

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