SCHEMBL31589635

SCHEMBL31589635

N#Cc1cnn2cc(-c3cnn(C(F)(F)F)c3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 17/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.34
▸ KIT P10721 1/20 0.34

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
SCHEMBL30932023 0.86 KDM5A (0.39) RETUSP30KIT
SCHEMBL31589711 0.81 KIT (0.51) RETUSP30KIT
SCHEMBL31590410 0.81 CREBBP (0.40) RETUSP30
SCHEMBL31589834 0.79 CREBBP (0.41) RETUSP30KIT
SCHEMBL20399729 0.79 RET (0.50) RETUSP30
SCHEMBL26766282 0.79 KIT (0.34) KIT
SCHEMBL30557662 0.78 RET (0.49) RETUSP30
Hydrochloric Acid SCHEMBL29516619 0.78 USP30 (0.49) RETUSP30
Hydrochloric Acid SCHEMBL30363088 0.78 USP30 (0.49) RETUSP30
SCHEMBL31590458 0.77 RET (0.40) RETUSP30KIT

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
CN-120051471-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2025-05-27 — — CN disclosed
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