SCHEMBL15533631

SCHEMBL15533631

COc1ccc(-c2cc(Nc3ccc(C(F)(F)F)cn3)ncn2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.45
TNNI3K Q59H18 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BRAF P15056 2/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
TTK P33981 1/20 0.40
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL15533795 0.86 ABL1 (0.64) ABL1BCRMAPTKMT2AMEN1
SCHEMBL15533950 0.85 ABL1 (0.47) ABL1BCRKMT2AMEN1RAB9A
SCHEMBL15533672 0.82 MAPT (0.48) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL15533534 0.81 THRB (0.58) ABL1BCRMAPTTRPV1BRAF
SCHEMBL15534555 0.80 ABL1 (0.49) ABL1BCRGAAMAPTKMT2A
SCHEMBL15533684 0.80 DYRK1A (0.47) ABL1BCRGAAMAPTKMT2A
SCHEMBL14742731 0.79 MEN1 (0.73) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL15533691 0.79 MAPT (0.47) ABL1BCRGAAMAPTKMT2A
SCHEMBL5923911 0.78 TRPV1 (0.56) ABL1BCRKMT2AMEN1TRPV1
SCHEMBL15534052 0.77 EGFR (0.55) MAPTTRPV1KDM4EUSP2LMNA

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