SCHEMBL31334209

SCHEMBL31334209

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3ccnc(-n4ccccc4=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
MAPK8 P45983 4/20 0.42
MAPK10 P53779 4/20 0.42
PCSK9 Q8NBP7 2/20 0.41
MAPK1 P28482 4/20 0.41
CDK2 P24941 3/20 0.41
CCNA2 P20248 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK9 P45984 3/20 0.40
MAPK14 Q16539 3/20 0.40
CCNT1 O60563 2/20 0.40
FLT3 P36888 1/20 0.40
SYK P43405 1/20 0.40
CCNE1 P24864 2/20 0.39
MERTK Q12866 2/20 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
SCHEMBL31333622 0.90 SYK (0.43) MAPK10PCSK9MAPK1CDK2CCNA2
SCHEMBL31334531 0.89 MAPK1 (0.41) MAPK8MAPK10PCSK9MAPK1CDK2
SCHEMBL31333684 0.89 MAPK1 (0.41) MAPK8MAPK10PCSK9MAPK1CDK2
SCHEMBL31333485 0.88 MAPK8 (0.45) MAPK8MAPK10PCSK9MAPK1CDK2
SCHEMBL31333852 0.87 SYK (0.46) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334380 0.86 MAPK1 (0.41) MAPK8PCSK9MAPK1CDK2CCNA2
SCHEMBL31333557 0.85 CDK9 (0.44) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31334297 0.84 MAPK1 (0.47) MAPK8MAPK10PCSK9MAPK1CDK2
SCHEMBL31334548 0.80 CDK7 (0.42) CDK9CDK7CCNKCSNK1A1CDK13
SCHEMBL31333653 0.79 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