SCHEMBL25611375

SCHEMBL25611375

O=C(Nc1ncc(-c2ccc3cnccc3c2)s1)C1COCCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.45
USP30 Q70CQ3 3/20 0.44
CDK2 P24941 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK5 Q00535 1/20 0.43
GSK3B P49841 7/20 0.42
DYRK1A Q13627 6/20 0.42
WNT1 P04628 5/20 0.42
AKT1 P31749 1/20 0.41
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL25611490 0.85 USP30 (0.49) ABL1USP30GSK3BDYRK1AWNT1
SCHEMBL25611374 0.85 DYRK1A (0.46) ABL1USP30GSK3BDYRK1AWNT1
SCHEMBL25610793 0.83 GSK3B (0.53) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL25613669 0.81 ABL1 (0.46) ABL1USP30GSK3BDYRK1AWNT1
SCHEMBL25263375 0.79 GSK3B (0.56) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL25611113 0.78 CDK2 (0.43) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL4307403 0.78 LIMK1 (0.51) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL25611231 0.77 GSK3B (0.46) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL31165742 0.77 DYRK1A (0.56) ABL1CDK2CCNE1CDK5GSK3B
SCHEMBL25602324 0.77 DYRK1A (0.56) ABL1CDK2CCNE1CDK5GSK3B

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed