SCHEMBL18376759

SCHEMBL18376759

CC(C)(C)NC(=O)c1ccc(-c2cccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 0.53
▸ JAK3 P52333 5/20 0.50
▸ JAK2 O60674 5/20 0.50
▸ PTK2 Q05397 2/20 0.49
▸ CDK1 P06493 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ TBK1 Q9UHD2 5/20 0.48
▸ CDK2 P24941 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ NUAK1 O60285 2/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ CSF1R P07333 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ STK16 O75716 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ ULK3 Q6PHR2 1/20 0.46
▸ BMP2K Q9NSY1 1/20 0.46

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
SCHEMBL18376605 0.91 MAPK10 (0.44) MAPK10JAK3JAK2PTK2TBK1
SCHEMBL18376780 0.90 TBK1 (0.49) MAPK10JAK3JAK2PTK2KDR
SCHEMBL18377058 0.88 JAK2 (0.59) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL18376845 0.86 HDAC3 (0.55) MAPK10JAK3JAK2PTK2CDK2
SCHEMBL18376765 0.85 JAK2 (0.56) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL18377059 0.85 CDK1 (0.51) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL28678996 0.83 JAK2 (0.50) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL28120297 0.82 JAK2 (0.61) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL18376853 0.82 JAK3 (0.58) MAPK10JAK3JAK2PTK2CDK1
SCHEMBL28120642 0.82 CDK1 (0.52) MAPK10JAK3JAK2PTK2CDK1

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 7 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-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 — — 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
CN-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 — — CN disclosed
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