SCHEMBL3957950

SCHEMBL3957950

O=C1C=NCc2cc[nH]c21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 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
SCHEMBL18986703 0.69 IDO1 (0.38) IDO1
SCHEMBL4772123 0.69 LTK (0.35)
SCHEMBL4772116 0.61
SCHEMBL182502 0.61
SCHEMBL16579833 0.58 TYR (0.33) IDO1
SCHEMBL24377676 0.58
SCHEMBL16830834 0.57 CRBN (0.31)
SCHEMBL18250040 0.57 MAOA (0.39) IDO1
SCHEMBL15468004 0.55 MAP2K1 (0.60)
SCHEMBL21305081 0.54 DYRK1A (0.40) IDO1

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-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 WO disclosed