SCHEMBL8691107

SCHEMBL8691107

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
MAP4K4 O95819 2/20 0.49
HSD17B10 Q99714 1/20 0.43
FEN1 P39748 1/20 0.42
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
ACVR1 Q04771 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TNKS O95271 1/20 0.39
AXL P30530 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PLK4 O00444 1/20 0.39
EGFR P00533 1/20 0.39
ROS1 P08922 1/20 0.39
PIM1 P11309 1/20 0.39
FLT3 P36888 1/20 0.39
FRK P42685 1/20 0.39
MAP4K2 Q12851 1/20 0.39
NTRK3 Q16288 1/20 0.39

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
SCHEMBL8695958 0.85 ELANE (0.46) HSD17B10FEN1ACVR1TNKSBACE1
SCHEMBL8696587 0.85 HSD17B10 (0.60) BRD4HSD17B10FEN1TNKSEGFR
SCHEMBL8691820 0.84 PIK3CD (0.51) HSD17B10FEN1ACVR1PRMT5WDR77
SCHEMBL8692400 0.84 TNKS (0.50) HSD17B10FEN1TNKSMEN1
SCHEMBL8693905 0.84 PDE4A (0.45) HSD17B10FEN1ACVR1PRMT5WDR77
SCHEMBL8694011 0.82 BRD4 (0.54) BRD4HSD17B10PRKCAGSK3BMEN1
SCHEMBL8695803 0.81 ELANE (0.54) BRD4HSD17B10MEN1ELANE
SCHEMBL8696634 0.81 GRIN1 (0.47) HSD17B10
SCHEMBL8693665 0.80 MET (0.51) MEN1
SCHEMBL8693990 0.78 TNKS (0.49) BRD4HSD17B10FEN1ACVR1TNKS

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