SCHEMBL25581308

SCHEMBL25581308

COC(=O)Nc1ccc2c(-c3nc(Nc4cccc(CN(C)C)c4)ncc3C(F)(F)F)c[nH]c2c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ CAMK2D Q13557 1/20 0.41
▸ EGFR P00533 4/20 0.39
▸ BTK Q06187 3/20 0.39
▸ CDK2 P24941 9/20 0.38
▸ CCNT1 O60563 7/20 0.38
▸ CCNK O75909 7/20 0.38
▸ CCNE1 P24864 7/20 0.38
▸ CDK9 P50750 7/20 0.38
▸ CDK12 Q9NYV4 7/20 0.38
▸ MNAT1 P51948 3/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ MAPK3 P27361 1/20 0.36

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
SCHEMBL25580545 0.93 CDK7 (0.51) CDK7CCNHCAMK2DEGFRBTK
SCHEMBL25581453 0.92 CDK7 (0.47) CDK7CCNHCAMK2DEGFRBTK
SCHEMBL25581345 0.91 CDK7 (0.43) CDK7CCNHEGFRBTKCDK2
SCHEMBL25581309 0.91 CDK7 (0.43) CDK7CCNHEGFRBTKCDK2
SCHEMBL25581307 0.89 CDK7 (0.45) CDK7CCNHEGFRBTKCDK2
SCHEMBL25581305 0.88 CDK7 (0.45) CDK7CCNHEGFRBTKCDK2
SCHEMBL25581306 0.88 PTK2 (0.46) CDK7CCNHEGFRBTKCDK2
SCHEMBL25580841 0.84 CDK7 (0.47) CDK7CCNHEGFRBTKCDK2
SCHEMBL25581456 0.83 CDK7 (0.43) CDK7CCNHEGFRBTKCDK2
SCHEMBL25580553 0.83 BTK (0.46) CDK7CCNHEGFRBTKCDK2

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-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
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