SCHEMBL31333686

SCHEMBL31333686

O=c1[nH]cccc1-c1cccc(-c2nc(N[C@H]3CC[C@H](C(=O)O)CC3)ncc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.44
CDK2 P24941 4/20 0.43
CCNE1 P24864 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNK O75909 2/20 0.43
CDK9 P50750 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MAP4K1 Q92918 1/20 0.38
VCP P55072 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CCNA2 P20248 1/20 0.37
MAPK3 P27361 1/20 0.37
JUN P05412 1/20 0.36
MAPK10 P53779 1/20 0.36
CDK7 P50613 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
SCHEMBL31334899 0.96 CCNT1 (0.43) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31334122 0.92 CDK2 (0.43) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31334804 0.92 CDK2 (0.43) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31333986 0.91 CCNT1 (0.45) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31334998 0.91 CCNT1 (0.45) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31334562 0.90 CDK2 (0.42) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31335133 0.89 CCNE1 (0.43) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31333245 0.88 CDK9 (0.46) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31334963 0.88 CDK9 (0.43) ADORA1CDK2CCNE1CCNT1CCNK
SCHEMBL31333676 0.87 CCNE1 (0.49) ADORA1CDK2CCNE1CCNT1CCNK

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