SCHEMBL29490342

SCHEMBL29490342

Cc1nc(N[C@@H](C)c2ccc(-c3nc(C4CC4)no3)cc2)c2ccc(F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 17/20 0.44
▸ KRAS P01116 8/20 0.44
▸ IDO1 P14902 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CTNNB1 P35222 2/20 0.38
▸ TCF7L2 Q9NQB0 2/20 0.38

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
SCHEMBL22862607 1.00 SOS1 (0.44) SOS1KRASIDO1EGFRCTNNB1
SCHEMBL24704140 1.00 SOS1 (0.44) SOS1KRASIDO1EGFRCTNNB1
SCHEMBL22862729 0.83 CA1 (0.38) SOS1KRASIDO1EGFR
SCHEMBL22862674 0.82 NPC1 (0.43) SOS1IDO1
SCHEMBL22862939 0.82 NPC1 (0.43) SOS1IDO1
SCHEMBL22862811 0.81 EGFR (0.39) SOS1EGFR
SCHEMBL22862431 0.81 EGFR (0.39) SOS1EGFR
SCHEMBL29490298 0.81 EGFR (0.39) SOS1EGFR
SCHEMBL22862681 0.80 NPC1 (0.44) SOS1IDO1
SCHEMBL24704141 0.80 NPC1 (0.44) SOS1IDO1

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-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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