SCHEMBL24308505

SCHEMBL24308505

C[C@H]1CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)C)c(C#N)ccc34)n2)CN1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.61
▸ CDK12 Q9NYV4 18/20 0.61
▸ CCNT1 O60563 13/20 0.61
▸ CDK9 P50750 13/20 0.61
▸ CCNE1 P24864 12/20 0.61
▸ CDK2 P24941 12/20 0.61
▸ CDK7 P50613 14/20 0.59
▸ CCNH P51946 14/20 0.59
▸ MNAT1 P51948 11/20 0.58
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL22076298 0.89 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184439 0.89 CCNK (0.67) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076292 0.86 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597569 0.86 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30359949 0.84 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24308299 0.83 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597904 0.83 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588195 0.78 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24589006 0.77 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25594546 0.77 CCNT1 (0.69) CCNKCDK12CCNT1CDK9CCNE1

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-2022082056-A1 DOSING REGIMENS FOR CYCLIN‑DEPENDENT KINASE 7 (CDK7) INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2022-04-21 — — WO disclosed
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