SCHEMBL29368435

SCHEMBL29368435

COc1ccc(-c2cccc3cnc(Nc4ccc(C(F)(F)F)cc4)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.54
▸ TP53 P04637 1/20 0.50
▸ JUN P05412 4/20 0.49
▸ ACP1 P24666 1/20 0.47
▸ APP P05067 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ SYK P43405 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PTK2 Q05397 2/20 0.46
▸ ENPP1 P22413 1/20 0.45
▸ CHRNA7 P36544 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ GALR2 O43603 1/20 0.43
▸ MAPK8 P45983 1/20 0.43

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
SCHEMBL18377037 1.00 MAPK10 (0.54) MAPK10TP53JUNACP1APP
SCHEMBL29371294 0.91 MAPK10 (0.60) MAPK10JUNSYKAURKACCNA2
SCHEMBL18376750 0.91 MAPK10 (0.60) MAPK10JUNSYKAURKACCNA2
SCHEMBL18377036 0.86 MAPK10 (0.55) MAPK10JUNSYKAURKACCNA2
SCHEMBL29371938 0.86 MAPK10 (0.55) MAPK10JUNSYKAURKACCNA2
SCHEMBL29372241 0.85 PIK3CA (0.57) MAPK10JUNACP1SYKAURKA
SCHEMBL18377045 0.85 PIK3CA (0.57) MAPK10JUNACP1SYKAURKA
SCHEMBL18376591 0.84 MAPK10 (0.54) MAPK10JUNSYKAURKACCNA2
SCHEMBL29370804 0.84 MAPK10 (0.54) MAPK10JUNSYKAURKACCNA2
SCHEMBL18377040 0.82 PIK3CG (0.60) MAPK10JUNSYKCCNA2CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999180-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2022-02-01 — — CN claimed
CN-113999180-B Quinazoline compound, intermediate, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2024-03-26 — — CN disclosed
CN-113999180-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2022-02-01 — — CN disclosed
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