SCHEMBL30140382

SCHEMBL30140382

Fc1cc2ncnc(Nc3ccc(CC(F)(F)F)c(Cl)c3)c2nc1O[C@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.44
ERBB2 P04626 7/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ERBB4 Q15303 1/20 0.38
MAPT P10636 1/20 0.38
EPHA2 P29317 3/20 0.36
KDR P35968 2/20 0.36
EPHB4 P54760 2/20 0.36

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
SCHEMBL30140082 0.84 EGFR (0.48) EGFRERBB2HPGDHTTERBB4
SCHEMBL30140320 0.80 EGFR (0.55) EGFRERBB2
SCHEMBL30140107 0.79 EGFR (0.39) EGFRERBB2EPHA2KDREPHB4
SCHEMBL23538160 0.79 EGFR (0.45) EGFRERBB2EPHA2KDREPHB4
SCHEMBL23538163 0.79 EGFR (0.45) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140434 0.79 GPR119 (0.47) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140366 0.74 GPR119 (0.37) EGFREPHA2KDREPHB4
SCHEMBL30140353 0.74 KDR (0.44) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140262 0.74 EGFR (0.37) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140329 0.73 EGFR (0.49) EGFRERBB2ERBB4EPHA2KDR

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed