SCHEMBL25580553

SCHEMBL25580553

CNCc1cccc(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(NC(=O)OC)cccc34)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ CDK7 P50613 6/20 0.46
▸ CCNH P51946 6/20 0.46
▸ CCNT1 O60563 9/20 0.43
▸ CCNK O75909 9/20 0.43
▸ CCNE1 P24864 9/20 0.43
▸ CDK2 P24941 9/20 0.43
▸ CDK9 P50750 9/20 0.43
▸ CDK12 Q9NYV4 9/20 0.43
▸ MNAT1 P51948 3/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ PTK2 Q05397 3/20 0.40

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
SCHEMBL25581309 0.93 CDK7 (0.43) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25581460 0.92 CDK7 (0.43) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25580841 0.92 CDK7 (0.47) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25580545 0.90 CDK7 (0.51) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25581345 0.84 CDK7 (0.43) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25581456 0.84 CDK7 (0.43) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25580804 0.83 CCNE1 (0.47) CDK7CCNHCCNT1CCNKCCNE1
SCHEMBL25581308 0.83 CDK7 (0.47) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25581453 0.82 CDK7 (0.47) BTKEGFRCDK7CCNHCCNT1
SCHEMBL25581305 0.82 CDK7 (0.45) BTKEGFRCDK7CCNHCCNT1

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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