Sugi Predict

Sugi Predict / Compounds / SCHEMBL30140329

SCHEMBL30140329

SCHEMBL30140329

FC(F)(F)Oc1ccc(Nc2ncnc3ccc(O[C@H]4CCNC4)nc23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.49
▸ ERBB2 P04626 10/20 0.49
▸ ERBB3 P21860 6/20 0.45
▸ ERBB4 Q15303 6/20 0.45
▸ S1PR2 O95136 1/20 0.38
▸ EPHA2 P29317 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ EPHB4 P54760 1/20 0.37

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
SCHEMBL30140096 0.87 EGFR (0.49) EGFRERBB2ERBB3ERBB4EPHA2
SCHEMBL30140099 0.84 EGFR (0.36) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140321 0.84 EGFR (0.46) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140140 0.82 EGFR (0.45) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140203 0.82 EGFR (0.45) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140124 0.81 ERBB2 (0.49) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140304 0.81 EPHA2 (0.49) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140354 0.80 EGFR (0.44) EGFRERBB2
SCHEMBL22598568 0.80 ERBB2 (0.65) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140186 0.79 EGFR (0.45) EGFRERBB2

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