SCHEMBL25580806

SCHEMBL25580806

COC(=O)Nc1cccc2c(-c3nc(NCCCN(C)C)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ CCNK O75909 14/20 0.43
▸ CDK12 Q9NYV4 14/20 0.43
▸ CCNT1 O60563 13/20 0.43
▸ CDK9 P50750 13/20 0.43
▸ CCNE1 P24864 12/20 0.43
▸ CDK2 P24941 12/20 0.43
▸ CDK7 P50613 7/20 0.42
▸ CCNH P51946 7/20 0.42
▸ MNAT1 P51948 4/20 0.42
▸ FGFR1 P11362 1/20 0.39

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
SCHEMBL25581286 0.98 LCK (0.47) JAK1LCKCCNKCDK12CCNT1
SCHEMBL25580809 0.95 JAK1 (0.46) JAK1LCKCCNKCDK12CCNT1
SCHEMBL25581351 0.91 LCK (0.39) JAK1LCKCCNKCDK12CCNT1
SCHEMBL25580804 0.88 CCNE1 (0.47) JAK1CCNKCDK12CCNT1CDK9
SCHEMBL25581354 0.88 LCK (0.41) JAK1LCKCCNKCDK12CCNT1
SCHEMBL25581443 0.88 LCK (0.41) JAK1LCKCCNKCDK12CCNT1
SCHEMBL25581463 0.86 LCK (0.40) LCKCCNKCDK12CCNT1CDK9
SCHEMBL25583393 0.86 LCK (0.40) LCKCCNKCDK12CCNT1CDK9
SCHEMBL25581350 0.85 CCNK (0.39) JAK1CCNKCDK12CCNT1CDK9
SCHEMBL25580830 0.85 CCNT1 (0.44) JAK1CCNKCDK12CCNT1CDK9

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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