SCHEMBL24823944

SCHEMBL24823944

CSn1ccc2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MET P08581 1/20 0.31

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
SCHEMBL24198356 0.72 TP53 (0.38)
SCHEMBL256368 0.71 ELANE (0.42) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL31637708 0.70 ELANE (0.44) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL2280415 0.67 ELANE (0.42) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL18938891 0.67 ELANE (0.42) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL18237765 0.67 ELANE (0.39) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL12844053 0.67 ELANE (0.39) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL12775635 0.67 ELANE (0.42) ELANECCNB2CDK1CCNB1CDK5
SCHEMBL24670234 0.64 MET (0.47) ELANEMET
SCHEMBL22388588 0.64 ELANE (0.37) ELANECCNB2CDK1CCNB1CDK5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed