SCHEMBL30007191

SCHEMBL30007191

N#Cc1ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 18/20 0.60
CDK12 Q9NYV4 18/20 0.60
CCNT1 O60563 10/20 0.60
CCNE1 P24864 10/20 0.60
CDK2 P24941 10/20 0.60
CDK9 P50750 10/20 0.60
CDK7 P50613 9/20 0.60
CCNH P51946 9/20 0.60
MNAT1 P51948 8/20 0.59

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
SCHEMBL21178905 1.00 CCNK (0.60) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21629046 0.85 CCNK (0.44) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30554768 0.85 CCNK (0.44) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24900493 0.84 TDO2 (0.47) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30957590 0.84 TDO2 (0.47) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184587 0.83 CCNK (0.42) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21178668 0.83 CLK1 (0.50) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30260854 0.83 CLK1 (0.50) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25597321 0.83 CLK1 (0.52) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817250 0.83 CCNK (0.48) CCNKCDK12CCNT1CCNE1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 WO disclosed
CN-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 CN disclosed