SCHEMBL30260893

SCHEMBL30260893

CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(Br)c(C(=O)O)ccc34)n2)CN1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.65
▸ CDK12 Q9NYV4 19/20 0.65
▸ CCNT1 O60563 16/20 0.65
▸ CDK9 P50750 16/20 0.65
▸ CCNE1 P24864 16/20 0.65
▸ CDK2 P24941 16/20 0.65
▸ CDK7 P50613 12/20 0.65
▸ CCNH P51946 12/20 0.65
▸ MNAT1 P51948 7/20 0.65
▸ CYP2D6 P10635 1/20 0.65

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
SCHEMBL30260870 0.93 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25592737 0.87 CCNK (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076296 0.85 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076294 0.85 CCNK (0.79) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260911 0.85 CCNT1 (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591992 0.82 CCNK (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597116 0.82 CCNK (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25595555 0.81 CCNK (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25595553 0.81 CCNK (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25597135 0.81 CCNK (0.66) 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-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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