SCHEMBL31447809

SCHEMBL31447809

CC1(C)CC[C@H](Nc2ncc3c(n2)-c2c([nH]c4c(Br)cc(F)cc24)CCC3)CN1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 9/20 0.41
▸ CDK12 Q9NYV4 9/20 0.41
▸ CCNT1 O60563 7/20 0.41
▸ CDK9 P50750 7/20 0.41
▸ CCNE1 P24864 7/20 0.41
▸ CDK2 P24941 7/20 0.41
▸ CDK7 P50613 6/20 0.41
▸ CCNH P51946 6/20 0.41
▸ MNAT1 P51948 5/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ PIKFYVE Q9Y2I7 6/20 0.36
▸ MAP3K14 Q99558 3/20 0.35

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
SCHEMBL31448134 0.88 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31448025 0.80 CCNK (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31447793 0.78 CDK7 (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31448090 0.74 CDK7 (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31448067 0.72 CCNT1 (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31448005 0.67 CCNK (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31447838 0.66 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30716342 0.64 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26696965 0.64 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26696963 0.64 CCNK (0.59) 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
CN-119331020-A Polycyclic nitrogen-containing heterocyclic compound and application thereof 深圳艾克斯恩生物科技有限公司 2025-01-21 — — CN disclosed
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