SCHEMBL15533228

SCHEMBL15533228

COC(=O)c1cc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.44
BCR P11274 13/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
JAK2 O60674 1/20 0.40
SYK P43405 2/20 0.38
SDHB P21912 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
SCHEMBL15534734 0.89 ABL1 (0.43) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL15534101 0.85 TRPV1 (0.47) ABL1BCRKDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL15533549 0.84 TRPV1 (0.47) ABL1BCRKDM4EMAPTMAPK1
Bromide SCHEMBL15534396 0.84 TRPV1 (0.47) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL15534503 0.84 ABL1 (0.48) ABL1BCRTAS2R14TRPV1JAK2
Sulfuric Acid SCHEMBL15533134 0.83 ABL1 (0.47) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL15534505 0.81 ABL1 (0.46) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL15534267 0.80 TRPV1 (0.56) ABL1BCRMAPTTAS2R14TRPV1
SCHEMBL15534453 0.80 TAS2R14 (0.47) ABL1BCRMAPTTAS2R14JAK2
SCHEMBL15533691 0.79 MAPT (0.47) ABL1BCRKDM4EMAPTMAPK1

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 1 patent. 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 disclosed