SCHEMBL7706437

SCHEMBL7706437

Cc1nc2nc(C)c(N)c(CC(C)C)n2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL16497259 0.69 PKM (0.32) KDM4ENOS3NOS1NOS2
SCHEMBL11930694 0.65 KDM4E (0.38) KDM4ENPSR1DPP4ALDH1A1
SCHEMBL16010498 0.61 BRD4 (0.36) KDM4EALDH1A1HPGDHSD17B10NOS3
SCHEMBL11916282 0.61 ALDH1A1 (0.33) KDM4ENPSR1DPP4ALDH1A1HPGD
SCHEMBL24572157 0.58 KDM4E (0.58) KDM4ENPSR1DPP4ALDH1A1HSD17B10
SCHEMBL5410862 0.58 ADORA2B (0.45) KDM4ENPSR1ALDH1A1HPGDHSD17B10
SCHEMBL19697586 0.58 KDM4E (0.40) KDM4EHPGDHSD17B10
SCHEMBL9505954 0.57 KDM4E (0.35) KDM4ENPSR1DPP4ALDH1A1HPGD
SCHEMBL21565452 0.57 NPSR1 (0.49) KDM4ENPSR1ALDH1A1HSD17B10
SCHEMBL12869079 0.57 NOS3 (0.33) NPSR1NOS3NOS1NOS2

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
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed