SCHEMBL25328533

SCHEMBL25328533

CC(C)(C)OC(=O)N1CCC(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.61
▸ CDK7 P50613 1/20 0.61
▸ PTK2 Q05397 11/20 0.60
▸ INSR P06213 3/20 0.54
▸ IGF1R P08069 3/20 0.54
▸ ALK Q9UM73 3/20 0.54
▸ CCNK O75909 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CCND3 P30281 1/20 0.54
▸ CDK6 Q00534 1/20 0.54
▸ MAPK3 P27361 3/20 0.52
▸ MAP4K1 Q92918 1/20 0.51

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
SCHEMBL25328494 1.00 CDK9 (0.61) CDK9CDK7PTK2INSRIGF1R
SCHEMBL31006849 0.93 CDK9 (0.53) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25330054 0.90 CDK9 (0.54) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25330047 0.90 CDK9 (0.54) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25328196 0.90 PTK2 (0.55) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25328192 0.90 PTK2 (0.55) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25328850 0.90 PTK2 (0.55) CDK9CDK7PTK2INSRIGF1R
SCHEMBL25328855 0.90 PTK2 (0.55) CDK9CDK7PTK2INSRIGF1R
SCHEMBL13832520 0.87 CDK7 (0.65) CDK9CDK7PTK2INSRIGF1R
SCHEMBL15600963 0.87 CDK7 (0.65) CDK9CDK7PTK2INSRIGF1R

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
Send feedback