SCHEMBL21251737

SCHEMBL21251737

CCOc1cc(OC)c(F)c(-c2nc(N3CCC(C)(OC)CC3)c3cc(Cl)ncc3n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NTSR1 P30989 7/20 0.38
▸ PDE9A O76083 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ WHR1 P49842 2/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KIT P10721 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32

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
SCHEMBL21240381 0.95 PDE9A (0.40) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL30044646 0.95 PDE9A (0.40) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL20331745 0.89 PDE9A (0.37) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL29577448 0.89 PDE9A (0.37) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL29578031 0.85 MAP4K1 (0.33) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL20331493 0.85 MAP4K1 (0.33) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL30045784 0.85 PDE9A (0.41) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL20332262 0.85 PDE9A (0.41) HPGDALDH1A1HIF1ANTSR1PDE9A
SCHEMBL21252194 0.84 PIK3CA (0.36) HPGDALDH1A1HIF1ANTSR1KDM4E
SCHEMBL30045467 0.81 SMN1; SMN2 (0.51) HPGDALDH1A1HIF1ASMN1; SMN2

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
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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