SCHEMBL18250087

SCHEMBL18250087

Nc1ncnc2c1c(I)nn2CC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CSNK1A1 P48729 2/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ IRAK1 P51617 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ NTRK3 Q16288 2/20 0.47
▸ SLK Q9H2G2 2/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ PRKD3 O94806 1/20 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
SCHEMBL30321059 0.85 PIK3CG (0.54) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL24096485 0.85 PIK3CG (0.54) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL26148251 0.83 MAPK1 (0.42) DYRK1ASRCKDRFYNRET
SCHEMBL868744 0.80 PIK3CD (0.51) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL28406676 0.80 ADK (0.50) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16701523 0.78 ADK (0.49) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL4572201 0.77 RET (0.48) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL868521 0.77 DYRK3 (0.51) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL17962785 0.76 FYN (0.49) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL17936088 0.76 MAPK1 (0.47) DYRK3CDK1ROS1RPS6KB1CDK2

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
WO-2023083373-A1 COMPOUND USED AS SRC INHIBITOR 微境生物医药科技(上海)有限公司 2023-05-19 — — WO disclosed
WO-2023017264-A1 TYROSINE KINASE INHIBITORS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-02-16 — — WO disclosed
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 — — EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — WO disclosed
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