SCHEMBL1720850

SCHEMBL1720850

O=c1ccc2cnc3ccnn3c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDR P35968 3/20 0.36
HCAR1 Q9BXC0 12/20 0.35
DGAT1 O75907 3/20 0.34

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
SCHEMBL2706434 0.75 DGAT1 (0.36) KDRDGAT1
Hydrochloric Acid SCHEMBL6207073 0.73 DGAT1 (0.36) KDRDGAT1
SCHEMBL239135 0.72 KDR (0.40) PDE3BPDE3AKDRDGAT1
SCHEMBL239290 0.72 KDR (0.39) KDRDGAT1
SCHEMBL1074481 0.71 DGAT1 (0.36) KDRDGAT1
SCHEMBL2755265 0.69 PIM1 (0.42) KDR
SCHEMBL14905764 0.67 PDE3B (0.39) PDE3BPDE3AHCAR1
SCHEMBL17645606 0.65 DGAT1 (0.36) KDRDGAT1
SCHEMBL31593702 0.64 GABRP (0.41) KDR
SCHEMBL29792823 0.63 DYRK1A (0.39) KDRDGAT1

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
EP-2406250-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-01-18 EP disclosed