SCHEMBL21184570

SCHEMBL21184570

CCCCc1cnc(NC2CCCC2)nc1-c1cn(SF)c2c(Cl)c(Br)ccc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.34
▸ CCNH P51946 15/20 0.34
▸ MNAT1 P51948 15/20 0.34
▸ CDK9 P50750 10/20 0.34
▸ CCNT1 O60563 9/20 0.34
▸ CCNK O75909 8/20 0.34
▸ CDK12 Q9NYV4 8/20 0.34
▸ CCNE1 P24864 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33

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
SCHEMBL21184308 0.70 CDK7 (0.55) CDK7CCNHMNAT1CDK9CCNT1
SCHEMBL21184588 0.66 CCNK (0.46) CDK7CCNHMNAT1CDK9CCNT1
SCHEMBL21184424 0.63 FLT3 (0.36) CDK7CCNHMNAT1CDK9CCNT1
SCHEMBL21026771 0.59 CDK9 (0.57) CDK7CCNHMNAT1CDK9CCNT1
SCHEMBL28933583 0.58 PAK1 (0.47) CDK7CDK9ADORA1CDK4CCND1
SCHEMBL25043383 0.56 MEN1 (0.40) —
SCHEMBL9704728 0.56 PDE4A (0.43) CDK2CDK4CCND1CCND2CCND3
SCHEMBL9704732 0.55 PAK1 (0.53) CCNE1CDK2CDK4CCND1CCND2
SCHEMBL27428231 0.55 NUDT1 (0.35) CDK7CCNHMNAT1CDK9CCNT1
SCHEMBL20814607 0.55 PDE4A (0.55) —

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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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