SCHEMBL29910237

SCHEMBL29910237

C[C@@H](Nc1ncnc2c1cc(Br)c(=O)n2C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 17/20 0.69
KRAS P01116 1/20 0.54
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51

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
SCHEMBL23326437 1.00 SOS1 (0.69) SOS1KRASCNR1CNR2
SCHEMBL23326439 1.00 SOS1 (0.69) SOS1KRASCNR1CNR2
SCHEMBL23326383 0.90 SOS1 (0.71) SOS1KRAS
SCHEMBL23326916 0.90 SOS1 (0.58) SOS1
SCHEMBL29910255 0.90 SOS1 (0.57) SOS1
SCHEMBL23326917 0.90 SOS1 (0.58) SOS1
SCHEMBL23326382 0.90 SOS1 (0.71) SOS1KRAS
SCHEMBL23326416 0.90 SOS1 (0.57) SOS1
SCHEMBL23326417 0.90 SOS1 (0.57) SOS1
SCHEMBL29910214 0.90 SOS1 (0.58) SOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178130-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-09-21 WO disclosed
EP-4055017-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-09-14 EP disclosed