SCHEMBL15533765

SCHEMBL15533765

COc1ccc(-c2cc(Nc3ccc(C(F)(F)F)nc3)ncn2)cc1OC.Oc1ccc(-c2cc(Nc3ccc(C(F)(F)F)nc3)ncn2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.57
BCR P11274 12/20 0.57
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
LMNA P02545 1/20 0.43
BACE1 P56817 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL15533974 0.90 ABL1 (0.69) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15534389 0.79 ABL1 (0.39) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15533795 0.79 ABL1 (0.64) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15533691 0.77 MAPT (0.47) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15534046 0.76 ABL1 (0.68) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15533534 0.74 THRB (0.58) ABL1BCRLMNABACE1MAPT
SCHEMBL5923911 0.74 TRPV1 (0.56) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15534009 0.74 MAPT (0.48) ALDH1A1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL12943132 0.73 ABL1 (1.00) ABL1BCRUSP2ALDH1A1CYP1A2
SCHEMBL15533631 0.73 ABL1 (0.46) ABL1BCRUSP2ALDH1A1CYP1A2

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 claimed