SCHEMBL18376592

SCHEMBL18376592

CC(=O)N1CCN(c2ccc(Nc3ncc4cccc(-c5ccc(N6CCOCC6)cc5)c4n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.68
▸ MAPK10 P53779 5/20 0.63
▸ JUN P05412 4/20 0.61
▸ MAPK8 P45983 4/20 0.61
▸ CDK4 P11802 2/20 0.56
▸ CCND1 P24385 2/20 0.56
▸ CCNE1 P24864 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ ALK Q9UM73 1/20 0.56
▸ TTK P33981 1/20 0.56
▸ SYK P43405 2/20 0.54
▸ JAK2 O60674 7/20 0.54
▸ JAK3 P52333 1/20 0.54
▸ BRD4 O60885 3/20 0.53
▸ FGFR2 P21802 1/20 0.53

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
SCHEMBL29372582 1.00 EGFR (0.68) EGFRMAPK10JUNMAPK8CDK4
SCHEMBL18376602 0.91 EGFR (0.71) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL18376258 0.90 EGFR (0.61) EGFRMAPK10JUNMAPK8CDK4
SCHEMBL18376646 0.89 EGFR (0.66) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL29368349 0.89 EGFR (0.66) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL29370824 0.89 EGFR (0.66) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL28696412 0.89 EGFR (0.66) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL29576513 0.88 EGFR (0.72) EGFRMAPK10CDK4CCND1CCNE1
SCHEMBL18376769 0.86 MAPK10 (0.55) EGFRMAPK10JUNMAPK8CDK2
SCHEMBL20807685 0.85 EGFR (0.79) EGFRMAPK10CDK4CCND1CCNE1

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 5 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
CN-106316965-B Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2021-08-27 — — CN disclosed
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 — — WO disclosed
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