SCHEMBL25112476

SCHEMBL25112476

Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(Br)c(=O)n(C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 20/20 0.56
KRAS P01116 12/20 0.56

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
SCHEMBL30122330 0.88 SOS1 (0.44) SOS1KRAS
SCHEMBL29918675 0.88 SOS1 (0.44) SOS1KRAS
SCHEMBL27240656 0.88 SOS1 (0.65) SOS1
SCHEMBL27240653 0.88 SOS1 (0.65) SOS1
SCHEMBL29755546 0.83 SOS1 (0.72) SOS1
SCHEMBL23326460 0.83 SOS1 (0.72) SOS1
SCHEMBL23326462 0.83 SOS1 (0.72) SOS1
SCHEMBL29698798 0.82 SOS1 (0.69) SOS1KRAS
SCHEMBL25112266 0.81 SOS1 (0.58) SOS1KRAS
SCHEMBL25304870 0.80 SOS1 (0.57) SOS1KRAS

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-4148056-A1 SOS1 INHIBITOR CONTAINING PHOSPHORUS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-15 EP disclosed