SCHEMBL31333644

SCHEMBL31333644

O=c1ccccn1-c1cccc(-c2nc(NC3CCNCC3)ncc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
BRD4 O60885 1/20 0.45
MAPK8 P45983 3/20 0.43
SYK P43405 2/20 0.43
MAPK1 P28482 5/20 0.41
CDK2 P24941 3/20 0.41
CCNA2 P20248 2/20 0.41
MAPK3 P27361 1/20 0.41
PCSK9 Q8NBP7 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
HDAC1 Q13547 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNB3 Q8WWL7 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
SCHEMBL31334302 0.94 CCNT1 (0.43) JAK2BRD4SYKMAPK1CDK2
SCHEMBL31334058 0.91 SYK (0.42) JAK2BRD4MAPK8SYKMAPK1
SCHEMBL31334740 0.89 SYK (0.41) JAK2BRD4SYKMAPK1CDK2
SCHEMBL31333363 0.89 ADORA1 (0.48) MAPK8SYKMAPK1CDK2CCNA2
SCHEMBL31333190 0.89 PCSK9 (0.44) SYKMAPK1CDK2CCNA2MAPK3
SCHEMBL31333852 0.89 SYK (0.46) MAPK8SYKMAPK1CDK2CCNA2
SCHEMBL31334573 0.89 MAPK1 (0.49) JAK2BRD4MAPK8SYKMAPK1
SCHEMBL31333268 0.86 SYK (0.46) SYKMAPK1CDK2CCNA2MAPK3
SCHEMBL31333776 0.86 SYK (0.46) SYKMAPK1CDK2CCNA2MAPK3
SCHEMBL31334462 0.85 SYK (0.44) JAK2BRD4MAPK8SYKMAPK1

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