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SCHEMBL24660407

SCHEMBL24660407

C=CC(O)N1CC[C@H]2[C@@H]1CN2c1nc(=O)n2c3nc(c(F)cc13)-c1c(F)cccc1OCCCc1ccnc(C(C)C)c1-2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.72
▸ SOS1 Q07889 1/20 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
SCHEMBL24660028 0.90 KRAS (0.81) KRASSOS1
SCHEMBL24660400 0.90 KRAS (0.81) KRASSOS1
SCHEMBL24660027 0.90 KRAS (0.81) KRASSOS1
SCHEMBL24660387 0.86 KRAS (0.71) KRASSOS1
SCHEMBL24660412 0.86 KRAS (0.81) KRASSOS1
SCHEMBL24660319 0.84 KRAS (0.71) KRASSOS1
SCHEMBL24436710 0.84 KRAS (0.81) KRASSOS1
SCHEMBL23272856 0.84 KRAS (1.00) KRASSOS1
SCHEMBL23272986 0.84 KRAS (0.83) KRASSOS1
SCHEMBL24660405 0.83 KRAS (0.68) KRASSOS1

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-2022233316-A1 TWELVE-MEMBERED MACROCYCLIC COMPOUND 南京明德新药研发有限公司 2022-11-10 — — WO disclosed