SCHEMBL30988720

SCHEMBL30988720

COc1ccc2ncnc(N)c2c1OC1CCN(C)CC1(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.53
EGFR P00533 9/20 0.44
SRC P12931 1/20 0.42
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38

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
SCHEMBL30988724 0.94 ERBB2 (0.48) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988743 0.93 ERBB2 (0.47) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988699 0.92 ERBB2 (0.46) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988698 0.90 ERBB2 (0.45) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30658969 0.90 ERBB2 (0.45) ERBB2EGFRSRC
SCHEMBL30988729 0.90 ERBB2 (0.45) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988777 0.89 ERBB2 (0.43) ERBB2EGFR
SCHEMBL30658932 0.89 ERBB2 (0.43) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988706 0.89 ERBB2 (0.44) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988746 0.88 ERBB2 (0.42) ERBB2EGFRSRCPIK3CDPIK3CA

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
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN claimed
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed