SCHEMBL31334046

SCHEMBL31334046

N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(-c4ccccc4)c3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.50
CCNT1 O60563 3/20 0.50
FLT3 P36888 1/20 0.50
MERTK Q12866 4/20 0.49
CDK7 P50613 2/20 0.49
CCNK O75909 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK13 Q14004 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
ADORA1 P30542 5/20 0.47
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
MAPK9 P45984 2/20 0.46
MAPK14 Q16539 2/20 0.46
ADORA2A P29274 3/20 0.46
ADORA2B P29275 1/20 0.46
AXL P30530 1/20 0.45
TYRO3 Q06418 1/20 0.45
IRAK1 P51617 1/20 0.42
CCNB2 O95067 1/20 0.41

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
SCHEMBL31333856 1.00 CDK9 (0.50) CDK9CCNT1FLT3MERTKCDK7
SCHEMBL31333320 0.88 ADORA1 (0.61) FLT3MERTKADORA1MAPK8MAPK10
SCHEMBL31334200 0.88 ADORA1 (0.61) FLT3MERTKADORA1MAPK8MAPK10
SCHEMBL31333763 0.87 CDK9 (0.47) CDK9CCNT1FLT3MERTKCDK7
SCHEMBL31334729 0.86 CCNT1 (0.53) CDK9CCNT1FLT3MERTKCDK7
SCHEMBL31334614 0.86 HDAC1 (0.48) CDK9CCNT1CDK7CCNKCDK12
SCHEMBL31334093 0.86 CCNT1 (0.53) CDK9CCNT1FLT3MERTKCDK7
SCHEMBL31334905 0.86 CCNT1 (0.53) CDK9CCNT1FLT3MERTKCDK7
SCHEMBL31334719 0.85 ADORA1 (0.47) ADORA1ADORA2AADORA2BCCNB2CCNE2
SCHEMBL31334890 0.85 ADORA1 (0.47) ADORA1ADORA2AADORA2BCCNB2CCNE2

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