SCHEMBL31334455

SCHEMBL31334455

NC1CCC(Nc2ncc(F)c(-c3cccc(N4CCOC4=O)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.42
CDK7 P50613 2/20 0.42
CCNK O75909 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
MAPK1 P28482 6/20 0.40
CDK2 P24941 2/20 0.40
CAMK1D Q8IU85 1/20 0.40
CCNA2 P20248 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK8 P45983 3/20 0.40
MAPK10 P53779 3/20 0.40
MAPK9 P45984 2/20 0.40
MAPK14 Q16539 2/20 0.40
IDH1 O75874 2/20 0.40
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
SCHEMBL31334329 1.00 CDK9 (0.42) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333290 0.95 CDK9 (0.41) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334703 0.90 MAPK1 (0.42) MAPK1CDK2CAMK1DCCNA2MAPK3
SCHEMBL31334897 0.89 CDK6 (0.42) CDK9CDK7CCNKMAPK1CDK2
SCHEMBL31333839 0.89 MAPK1 (0.42) MAPK1CDK2CAMK1DCCNA2MAPK3
SCHEMBL31333681 0.89 MAP4K1 (0.46) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334173 0.88 MAPK1 (0.42) MAPK1CDK2CAMK1DCCNA2MAPK3
SCHEMBL31334958 0.86 MAPK1 (0.45) CDK9CDK7CSNK1A1MAPK1CDK2
SCHEMBL31334717 0.86 ADORA1 (0.43) MAPK1CDK2CCNA2MAPK3MAPK8
SCHEMBL31334337 0.86 CDK7 (0.42) CDK9CDK7CCNKCSNK1A1CDK13

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
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed