SCHEMBL8696587

SCHEMBL8696587

Cn1c(=O)cc(-c2ccccc2)c2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
FEN1 P39748 1/20 0.47
BRD4 O60885 2/20 0.45
TNKS O95271 1/20 0.43
KCNA3 P22001 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CREBBP Q92793 3/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CCNT1 O60563 1/20 0.42
PIM1 P11309 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL8691823 0.87 TNKS (0.52) HSD17B10FEN1TNKSALDH1A1CYP2C19
SCHEMBL8695958 0.86 ELANE (0.46) HSD17B10FEN1TNKS
SCHEMBL8691820 0.85 PIK3CD (0.51) HSD17B10FEN1TNKSPDE4ACDK2
SCHEMBL8691107 0.85 BRD4 (0.52) HSD17B10FEN1BRD4TNKSPIM1
SCHEMBL8693905 0.85 PDE4A (0.45) HSD17B10FEN1TNKSALDH1A1PDE4A
SCHEMBL8692400 0.85 TNKS (0.50) HSD17B10FEN1TNKSCYP2C19PDE4A
SCHEMBL8693990 0.84 TNKS (0.49) HSD17B10FEN1BRD4TNKSCYP2C19
SCHEMBL8694011 0.83 BRD4 (0.54) HSD17B10BRD4PDE4APDE4BPDE4C
SCHEMBL8695674 0.82 BRD4 (0.48) HSD17B10FEN1BRD4TNKSCREBBP
SCHEMBL8692262 0.82 HSD17B10 (0.47) HSD17B10BRD4ALDH1A1TSHRCYP2C19

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