SCHEMBL24726514

SCHEMBL24726514

Cn1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(=O)O)ccc21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.70
BRAF P15056 1/20 0.57

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
SCHEMBL23316514 0.85 IDH1 (0.61) IDH1
SCHEMBL23316566 0.85 IDH1 (0.61) IDH1
SCHEMBL26661508 0.85 IDH1 (0.61) IDH1
SCHEMBL23316443 0.85 IDH1 (0.61) IDH1
SCHEMBL23316437 0.84 IDH1 (0.61) IDH1
SCHEMBL23316598 0.84 IDH1 (0.60) IDH1
SCHEMBL23621921 0.84 IDH1 (0.60) IDH1
SCHEMBL22879674 0.84 IDH1 (0.83) IDH1
SCHEMBL23316599 0.84 IDH1 (0.60) IDH1
SCHEMBL23316580 0.83 IDH1 (0.60) IDH1

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-4083023-A1 SALT FORM AND CRYSTAL FORM OF MUTANT IDH1 INHIBITOR AND PREPARATION METHOD THEREFOR KPC Pharmaceuticals, Inc. (CN) 2022-11-02 EP disclosed