SCHEMBL30725828

SCHEMBL30725828

CC(C)c1ncnc(C(C)C)c1-n1c(=O)c2c(c3cc(Cl)c(-c4c(O)cccc4F)c(F)c31)N1C[C@@H](C)NC[C@@H]1C(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.44
EGFR P00533 1/20 0.35
HMOX2 P30519 1/20 0.35
CRYZ Q08257 1/20 0.35
VAT1 Q99536 1/20 0.35
RTN4 Q9NQC3 1/20 0.35

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
SCHEMBL25830219 0.96 KRAS (0.46) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23137456 0.94 KRAS (0.41) KRAS
SCHEMBL24692109 0.92 KRAS (0.46) KRAS
SCHEMBL24692122 0.91 KRAS (0.40) KRAS
SCHEMBL24692385 0.88 KRAS (0.40) KRAS
SCHEMBL27149319 0.86 KRAS (0.54) KRASEGFRHMOX2CRYZVAT1
SCHEMBL24691787 0.84 KRAS (0.60) KRAS
SCHEMBL24692398 0.84 KRAS (0.40) KRAS
SCHEMBL29907484 0.83 KRAS (0.47) KRAS
SCHEMBL23300813 0.82 KRAS (0.50) KRASEGFRHMOX2CRYZVAT1

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
EP-4053118-B1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2024-10-09 EP disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed