SCHEMBL30140336

SCHEMBL30140336

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4cc(Cl)cc(OCC5CC5)c4)c3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.49
EGFR P00533 3/20 0.49
PIK3CD O00329 8/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
EPHA2 P29317 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
EPHB4 P54760 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL30140251 0.88 EGFR (0.56) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140192 0.88 EGFR (0.63) ERBB2EGFR
SCHEMBL30140129 0.87 EGFR (0.53) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140383 0.86 GPR119 (0.47) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140330 0.83 GPR119 (0.47) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140085 0.83 EGFR (0.60) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140181 0.83 EGFR (0.54) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140318 0.81 GPR119 (0.46) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140350 0.80 EGFR (0.49) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30140208 0.80 EGFR (0.57) ERBB2EGFRPIK3CDPIK3CAPIK3CB

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