SCHEMBL25580841

SCHEMBL25580841

COC(=O)Nc1cccc2c(-c3nc(Nc4cccc(CN)c4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 7/20 0.47
▸ CCNH P51946 7/20 0.47
▸ EGFR P00533 3/20 0.43
▸ BTK Q06187 2/20 0.43
▸ CCNT1 O60563 10/20 0.42
▸ CCNK O75909 10/20 0.42
▸ CDK9 P50750 10/20 0.42
▸ CDK12 Q9NYV4 10/20 0.42
▸ CCNE1 P24864 9/20 0.42
▸ CDK2 P24941 9/20 0.42
▸ MNAT1 P51948 4/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL25581345 0.93 CDK7 (0.43) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581456 0.92 CDK7 (0.43) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25580553 0.92 BTK (0.46) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25580545 0.91 CDK7 (0.51) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581309 0.84 CDK7 (0.43) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581308 0.84 CDK7 (0.47) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581460 0.84 CDK7 (0.43) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581453 0.83 CDK7 (0.47) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581306 0.82 PTK2 (0.46) CDK7CCNHEGFRBTKCCNT1
SCHEMBL25581291 0.81 CLK1 (0.49) CDK7CCNHCCNT1CCNKCDK9

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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