SCHEMBL26070276

SCHEMBL26070276

CCc1sc(-c2ccc(C(F)(F)P)cn2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16398878 0.92 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18005120 0.85 GRM5 (0.33) —
SCHEMBL18005159 0.83 CYP1A1 (0.33) —
SCHEMBL16398564 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL18005047 0.79 NPC1 (0.38) ALDH1A1
SCHEMBL17969093 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18005108 0.77 TGFBR1 (0.32) —
SCHEMBL16399666 0.76 KCNH2 (0.34) —
SCHEMBL17969157 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL16398984 0.74 CTSK (0.41) ALDH1A1

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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