SCHEMBL31049366

SCHEMBL31049366

CNC(=O)[C@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)ncc23)CCO1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 19/20 0.39
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL31049491 1.00 PARG (0.39) PARGRAF1BRAF
SCHEMBL31049338 1.00 PARG (0.39) PARGRAF1BRAF
SCHEMBL31049389 0.92 PARG (0.37) PARG
SCHEMBL31049585 0.92 PARG (0.37) PARG
SCHEMBL31049533 0.91 PARG (0.34) PARGRAF1BRAF
SCHEMBL31049502 0.91 PARG (0.34) PARGRAF1BRAF
SCHEMBL31049555 0.91 PARG (0.39) PARG
SCHEMBL31049414 0.91 PARG (0.40) PARG
SCHEMBL31049514 0.91 PARG (0.38) PARG
SCHEMBL31049320 0.89 PARG (0.39) PARG

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-2024173453-A1 HETEROARYL-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed