SCHEMBL15533746

SCHEMBL15533746

N#Cc1ccc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
FAAH O00519 5/20 0.46
IDH1 O75874 1/20 0.46
ABL1 P00519 4/20 0.44
BCR P11274 4/20 0.44
TRPV1 Q8NER1 4/20 0.43
CYP1A2 P05177 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP2C19 P33261 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL15534259 0.85 TRPV1 (0.57) FAAHABL1BCRTRPV1
SCHEMBL15533871 0.85 TP53 (0.51) SYKFAAHABL1BCRTRPV1
SCHEMBL15534267 0.84 TRPV1 (0.56) SYKFAAHABL1BCRTRPV1
SCHEMBL15534464 0.84 ABL1 (0.46) SYKABL1BCRTRPV1MAPT
SCHEMBL15533972 0.81 ABL1 (0.53) SYKFAAHABL1BCRSMN1; SMN2
SCHEMBL15534101 0.81 TRPV1 (0.47) FAAHABL1BCRTRPV1MAPK1
Bromide SCHEMBL15534396 0.80 TRPV1 (0.47) FAAHABL1BCRTRPV1MAPK1
Hydrochloric Acid SCHEMBL15533549 0.80 TRPV1 (0.47) FAAHABL1BCRTRPV1MAPK1
SCHEMBL15533815 0.80 TRPV1 (0.48) SYKABL1BCRTRPV1MAPK1
SCHEMBL15533429 0.78 SYK (0.53) SYKABL1BCRTRPV1CYP2C19

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