SCHEMBL29490271

SCHEMBL29490271

Cc1nc(N[C@@H](C)c2ccc(C(=O)O/N=C(\N)C3CC3)cc2)c2ccc(F)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 0.45
▸ TCF7L2 Q9NQB0 3/20 0.45
▸ SOS1 Q07889 17/20 0.44
▸ KRAS P01116 6/20 0.44
▸ EGFR P00533 1/20 0.39

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
SCHEMBL22862605 1.00 CTNNB1 (0.45) CTNNB1TCF7L2SOS1KRASEGFR
SCHEMBL29490179 0.84 SMN1; SMN2 (0.36) SOS1KRAS
SCHEMBL22862676 0.84 SMN1; SMN2 (0.36) SOS1KRAS
SCHEMBL22862497 0.83 SOS1 (0.55) CTNNB1TCF7L2SOS1KRASEGFR
SCHEMBL29490331 0.83 SOS1 (0.55) CTNNB1TCF7L2SOS1KRASEGFR
SCHEMBL22862683 0.82 EGFR (0.36) SOS1EGFR
SCHEMBL29490316 0.82 EGFR (0.36) SOS1EGFR
SCHEMBL22862682 0.82 SOS1 (0.41) SOS1KRASEGFR
SCHEMBL22862498 0.79 CTNNB1 (0.52) CTNNB1TCF7L2SOS1KRASEGFR
SCHEMBL29490290 0.79 CTNNB1 (0.52) CTNNB1TCF7L2SOS1KRASEGFR

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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