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SCHEMBL25329554

SCHEMBL25329554

CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC2CCN(CC3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)C2)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.57
▸ CDK9 P50750 2/20 0.56
▸ CDK7 P50613 1/20 0.56
▸ ALK Q9UM73 7/20 0.52
▸ CCNK O75909 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ MET P08581 1/20 0.50
▸ INSR P06213 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ ZAP70 P43403 1/20 0.49

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
SCHEMBL25329544 1.00 PTK2 (0.57) PTK2CDK9CDK7ALKCCNK
SCHEMBL25327813 0.99 PTK2 (0.56) PTK2CDK9CDK7ALKINSR
SCHEMBL25327808 0.99 PTK2 (0.56) PTK2CDK9CDK7ALKINSR
SCHEMBL25330250 0.95 PTK2 (0.54) PTK2CDK9CDK7ALKMET
SCHEMBL25330255 0.95 PTK2 (0.54) PTK2CDK9CDK7ALKMET
SCHEMBL25328914 0.93 PTK2 (0.57) PTK2CDK9CDK7ALKCCNK
SCHEMBL25328917 0.93 PTK2 (0.57) PTK2CDK9CDK7ALKCCNK
SCHEMBL25329282 0.90 CDK9 (0.63) PTK2CDK9CDK7ALKCCNK
SCHEMBL25329276 0.90 CDK9 (0.63) PTK2CDK9CDK7ALKCCNK
SCHEMBL30978800 0.90 CDK9 (0.68) PTK2CDK9CDK7ALKCCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 — — WO disclosed