SCHEMBL29372241

SCHEMBL29372241

COc1ccc(-c2cccc3cnc(Nc4ccc(Cl)cc4)nc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.57
▸ PIK3CB P42338 1/20 0.57
▸ PIK3CG P48736 1/20 0.57
▸ MAPK10 P53779 5/20 0.55
▸ JUN P05412 2/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ EGFR P00533 3/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL18377045 1.00 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGMAPK10JUN
SCHEMBL18376750 0.94 MAPK10 (0.60) PIK3CAPIK3CBPIK3CGMAPK10JUN
SCHEMBL29371294 0.94 MAPK10 (0.60) PIK3CAPIK3CBPIK3CGMAPK10JUN
SCHEMBL29371938 0.89 MAPK10 (0.55) PIK3CAPIK3CBPIK3CGMAPK10JUN
SCHEMBL18377036 0.89 MAPK10 (0.55) PIK3CAPIK3CBPIK3CGMAPK10JUN
SCHEMBL29370804 0.87 MAPK10 (0.54) MAPK10JUNCCNA2CDK2TTK
SCHEMBL18376591 0.87 MAPK10 (0.54) MAPK10JUNCCNA2CDK2TTK
SCHEMBL29368435 0.85 MAPK10 (0.54) MAPK10JUNCCNA2CDK2TTK
SCHEMBL18377037 0.85 MAPK10 (0.54) MAPK10JUNCCNA2CDK2TTK
SCHEMBL18377040 0.85 PIK3CG (0.60) PIK3CAPIK3CBPIK3CGMAPK10JUN

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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