SCHEMBL31334428

SCHEMBL31334428

Clc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.53
MAPK1 P28482 4/20 0.50
HDAC1 Q13547 1/20 0.48
ADORA2A P29274 2/20 0.47
IKBKB O14920 1/20 0.46
CCNT1 O60563 9/20 0.46
CDK7 P50613 8/20 0.46
CDK9 P50750 8/20 0.46
CCNK O75909 6/20 0.46
CDK12 Q9NYV4 6/20 0.46
CCNH P51946 6/20 0.46
CCNE1 P24864 5/20 0.46
CDK2 P24941 5/20 0.46
CRBN Q96SW2 1/20 0.46
MNAT1 P51948 5/20 0.45
ADORA2B P29275 1/20 0.43

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
SCHEMBL31333658 1.00 ADORA1 (0.53) ADORA1MAPK1HDAC1ADORA2AIKBKB
SCHEMBL31333711 0.91 MAPK1 (0.48) ADORA1MAPK1HDAC1ADORA2AIKBKB
SCHEMBL31334722 0.87 MAPK1 (0.53) MAPK1HDAC1CDK2
SCHEMBL31333450 0.86 CCNT1 (0.63) ADORA1CCNT1CDK7CDK9CCNK
SCHEMBL31333564 0.86 CCNT1 (0.63) ADORA1CCNT1CDK7CDK9CCNK
SCHEMBL31334659 0.86 CCNT1 (0.63) ADORA1CCNT1CDK7CDK9CCNK
SCHEMBL31334614 0.86 HDAC1 (0.48) ADORA1HDAC1ADORA2AIKBKBCCNT1
SCHEMBL31334093 0.86 CCNT1 (0.53) ADORA1MAPK1ADORA2ACCNT1CDK7
SCHEMBL31334905 0.86 CCNT1 (0.53) ADORA1MAPK1ADORA2ACCNT1CDK7
SCHEMBL31334729 0.86 CCNT1 (0.53) ADORA1MAPK1ADORA2ACCNT1CDK7

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