SCHEMBL8695803

SCHEMBL8695803

Cn1c(=O)cc(-c2cccc(C#N)c2)c2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.54
BRD4 O60885 1/20 0.47
CLK4 Q9HAZ1 2/20 0.47
HSD17B10 Q99714 4/20 0.42
CYP1A2 P05177 4/20 0.42
CASP1 P29466 4/20 0.42
CASP7 P55210 4/20 0.42
TGFBR1 P36897 1/20 0.42
USP2 O75604 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ADORA2A P29274 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL3517807 0.83 ELANE (0.53) ELANEBRD4CLK4HSD17B10CYP1A2
SCHEMBL8695958 0.82 ELANE (0.46) ELANEHSD17B10
SCHEMBL8696587 0.82 HSD17B10 (0.60) BRD4HSD17B10ALDH1A1TSHR
SCHEMBL8691820 0.81 PIK3CD (0.51) ELANEHSD17B10TGFBR1
SCHEMBL8693905 0.81 PDE4A (0.45) HSD17B10TGFBR1ALDH1A1MEN1KMT2A
SCHEMBL8691107 0.81 BRD4 (0.52) ELANEBRD4HSD17B10MEN1
SCHEMBL8692400 0.81 TNKS (0.50) HSD17B10CYP1A2MEN1HPGDKMT2A
SCHEMBL8694011 0.79 BRD4 (0.54) BRD4CLK4HSD17B10MEN1KMT2A
SCHEMBL8696634 0.78 GRIN1 (0.47) HSD17B10TGFBR1
SCHEMBL8693665 0.77 MET (0.51) ALDH1A1MEN1KMT2A

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-5817670-A RESPIRATORY SYSTEM DISORDERS, ORGAN TRANSPLANTATION, ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0779292-A1 NOVEL NAPHTHYRIDINE DERIVATIVE AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-06-18 EP disclosed