SCHEMBL18376844

SCHEMBL18376844

CC(=O)Nc1ccc(-c2cccc3cnc(Nc4cccc(N5CCN(C(C)=O)CC5)c4)nc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.65
▸ JAK2 O60674 5/20 0.56
▸ CCNT1 O60563 6/20 0.52
▸ CCNA2 P20248 6/20 0.52
▸ CDK2 P24941 6/20 0.52
▸ CDK9 P50750 6/20 0.52
▸ CDK1 P06493 4/20 0.52
▸ CCNB1 P14635 4/20 0.52
▸ BRD4 O60885 3/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ FGFR2 P21802 1/20 0.51
▸ CDK7 P50613 3/20 0.50
▸ CCNH P51946 3/20 0.50
▸ CCNA1 P78396 2/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ FGFR1 P11362 1/20 0.48
▸ KDR P35968 1/20 0.48

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
SCHEMBL18377033 0.92 JAK2 (0.58) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18376602 0.92 EGFR (0.71) EGFRJAK2CDK2BRD4FGFR2
SCHEMBL18377048 0.91 EGFR (0.61) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18376840 0.90 EGFR (0.62) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL29368834 0.90 EGFR (0.62) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18376249 0.90 EGFR (0.61) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18376747 0.89 EGFR (0.59) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18377053 0.89 EGFR (0.59) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL18376777 0.89 EGFR (0.60) EGFRJAK2CCNT1CCNA2CDK2
SCHEMBL29368867 0.89 EGFR (0.60) EGFRJAK2CCNT1CCNA2CDK2

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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