SCHEMBL20468293

SCHEMBL20468293

CCSc1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)nc(C#N)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20465939 0.89 ALDH1A1 (0.33) ALDH1A1GLAHPGDSMN1; SMN2KDM4E
SCHEMBL20465940 0.87 ALDH1A1 (0.32) ALDH1A1GLAHPGDSMN1; SMN2KDM4E
SCHEMBL20468526 0.84 ALDH1A1 (0.32) ALDH1A1GLAHPGDSMN1; SMN2KDM4E
SCHEMBL20465984 0.84 ALDH1A1 (0.30) ALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL29521322 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29521552 0.82 L3MBTL1 (0.36) ALDH1A1
SCHEMBL20465926 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20455822 0.82 L3MBTL1 (0.36) ALDH1A1
SCHEMBL20468290 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24286107 0.81 ALOX5AP (0.31) ALDH1A1GLAHPGDSMN1; SMN2KDM4E

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-2018141955-A1 PROCESS FOR PREPARING HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — WO disclosed
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