SCHEMBL16099656

SCHEMBL16099656

CCN(CC)CC(C)n1c2cnccc2c2c(C)cc(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
KDM5A P29375 1/20 0.31
CMA1 P23946 2/20 0.30
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL16098616 0.85 ADORA3 (0.32) ADORA3ADORA2A
SCHEMBL16100006 0.76 ADORA3 (0.41) ADORA3ADORA2AKDM5ACMA1
SCHEMBL16097799 0.74 ADORA3 (0.33) ADORA3ADORA2A
SCHEMBL16099109 0.73 PDE2A (0.33)
SCHEMBL16099273 0.73 ADORA3 (0.40) ADORA3ADORA2AKDM5ACMA1
SCHEMBL16098699 0.70 ADORA3 (0.44) ADORA3ADORA2AKDM5ACMA1
SCHEMBL16100067 0.68 ADORA3 (0.36) ADORA3ADORA2AKDM5A
SCHEMBL16123634 0.67 DYRK1A (0.40) RAD52
SCHEMBL30939985 0.67 DYRK1A (0.40) RAD52
SCHEMBL16099174 0.67 HASPIN (0.55) ADORA3ADORA2AKDM5A

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-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 EP disclosed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 WO disclosed