SCHEMBL18376790

SCHEMBL18376790

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.50
▸ JAK2 O60674 4/20 0.46
▸ BRD4 O60885 3/20 0.46
▸ EGFR P00533 3/20 0.45
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ JUN P05412 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ KDR P35968 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
SCHEMBL29371949 1.00 TTK (0.50) TTKJAK2BRD4EGFRTLR9
SCHEMBL18376246 0.90 JAK2 (0.56) TTKJAK2BRD4EGFRAURKA
SCHEMBL29371334 0.90 JAK2 (0.56) TTKJAK2BRD4EGFRAURKA
SCHEMBL18376662 0.89 TTK (0.51) TTKJAK2BRD4EGFRRIPK2
SCHEMBL18376797 0.89 JAK2 (0.49) TTKJAK2BRD4EGFRRIPK2
SCHEMBL29371245 0.89 JAK2 (0.49) TTKJAK2BRD4EGFRRIPK2
SCHEMBL18377065 0.88 PTK2 (0.55) TTKJAK2BRD4EGFRRIPK2
SCHEMBL29368482 0.88 PTK2 (0.55) TTKJAK2BRD4EGFRRIPK2
SCHEMBL18377063 0.87 TTK (0.51) TTKJAK2BRD4RIPK2CDK4
SCHEMBL18376252 0.87 TTK (0.65) TTKJAK2RIPK2CDK4JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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