SCHEMBL18376254

SCHEMBL18376254

COc1ccc(-c2cccc3cnc(Nc4cccc(S(=O)(=O)N5CCN(C)CC5)c4)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.56
▸ PIK3CD O00329 1/20 0.52
▸ PIK3C2G O75747 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ PDGFRB P09619 2/20 0.51
▸ SRC P12931 2/20 0.51
▸ FGFR4 P22455 4/20 0.51
▸ JAK2 O60674 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ CCNT1 O60563 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ PDE5A O76074 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 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
SCHEMBL29368231 1.00 RIPK2 (0.56) RIPK2PIK3CDPIK3C2GPIK3CGPDGFRB
SCHEMBL18377044 0.84 RIPK2 (0.69) RIPK2PIK3CGPDGFRBJAK2BRD4
SCHEMBL29372255 0.84 RIPK2 (0.69) RIPK2PIK3CGPDGFRBJAK2BRD4
SCHEMBL18376246 0.84 JAK2 (0.56) FGFR4JAK2BRD4CCNA2CDK2
SCHEMBL29371334 0.84 JAK2 (0.56) FGFR4JAK2BRD4CCNA2CDK2
SCHEMBL18377049 0.82 RIPK2 (0.57) RIPK2PIK3CGJAK2BRD4CDK1
SCHEMBL18377043 0.81 ACP1 (0.56) RIPK2FGFR4JAK2BRD4
SCHEMBL29368456 0.81 ACP1 (0.56) RIPK2FGFR4JAK2BRD4
SCHEMBL18377055 0.81 SRC (0.53) RIPK2PIK3CGPDGFRBSRCFGFR4
SCHEMBL18376778 0.81 TTK (0.67) RIPK2JAK2BRD4CCNT1CCNA2

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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