SCHEMBL4433037

SCHEMBL4433037

OCCc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.34
GRM2 Q14416 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
NQO2 P16083 1/20 0.31
MAPK14 Q16539 3/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.30
DPP4 P27487 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL27781264 0.88 ABL1 (0.32) ABL1GRM2MAPK14HSD11B1DPP4
SCHEMBL4431468 0.88 TAAR1 (0.36) ABL1GRM2MAPK14DPP4
SCHEMBL4175707 0.85 DPP4 (0.38) ABL1GRM2KDM4EALDH1A1GLA
SCHEMBL4171143 0.85 ABL1 (0.33) ABL1GRM2KDM4EALDH1A1GLA
SCHEMBL4441851 0.84 ADORA2A (0.39) KDM4EALDH1A1DPP4CTSA
SCHEMBL4172328 0.78 PDE2A (0.43) ABL1NQO2HSD11B1PDE2APDE10A
SCHEMBL4181231 0.78 CYP1A2 (0.41) ALDH1A1MAPK14MAPT
SCHEMBL4174349 0.76 ABL1 (0.36) ABL1GRM2KDM4EALDH1A1GLA
SCHEMBL4177843 0.75 GRM2 (0.37) ABL1GRM2ALDH1A1GLAMAPK14
SCHEMBL27781195 0.75 ABL1 (0.40) ABL1GRM2NQO2HSD11B1PDE2A

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
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed