SCHEMBL31334289

SCHEMBL31334289

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3ccnc(C4(O)CCC4)c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.43
CDK7 P50613 2/20 0.43
CCNK O75909 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
MAPK8 P45983 6/20 0.38
MAPK10 P53779 5/20 0.38
MAPK9 P45984 5/20 0.38
MAPK14 Q16539 4/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
CDK2 P24941 2/20 0.37
CCNA2 P20248 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
CCNT1 O60563 3/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36

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
SCHEMBL31334640 0.89 DYRK2 (0.38) MAPK8ADORA2AADORA1CDK2CCNA2
SCHEMBL31333789 0.89 DYRK2 (0.38) MAPK8ADORA2AADORA1CDK2CCNA2
SCHEMBL31333985 0.88 ADORA2A (0.38) ADORA2AADORA1CDK2CCNA2MAPK3
SCHEMBL31334770 0.87 MAPK8 (0.44) MAPK8MAPK10MAPK9MAPK14ADORA2A
SCHEMBL31334019 0.85 MAPK1 (0.38) MAPK8ADORA2AADORA1CDK2CCNA2
SCHEMBL31334938 0.83 MAPK8 (0.38) CDK7MAPK8MAPK10MAPK9CDK2
SCHEMBL31334347 0.83 DYRK2 (0.47) CDK9CSNK1A1MAPK8MAPK9MAPK14
SCHEMBL31333247 0.82 MAPK1 (0.44) MAPK1MERTKCDK4CCND1CCND3
SCHEMBL31334258 0.82 MAPK3 (0.39) CDK7MAPK8ADORA2AADORA1CDK2
SCHEMBL31333476 0.78 CDK9 (0.46) 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