SCHEMBL10960693

SCHEMBL10960693

COc1c(-c2nc3cncnc3[nH]2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
PDE5A O76074 2/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AMY1A P0DUB6 1/20 0.35
POLB P06746 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 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
SCHEMBL10963776 0.85 PDE5A (0.39) PDE5AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL10962015 0.84 ESR1 (0.36) EGFRCYP3A4AMY1APOLBCYP17A1
SCHEMBL10960696 0.81 METAP2 (0.49) PDE5ARAB9AALDH1A1CYP1A2HSD17B10
SCHEMBL11233385 0.79 AMY1A (0.41) EGFRPDE5AALDH1A1CYP3A4HSD17B10
SCHEMBL10962037 0.79 PDE5A (0.50) PDE5ARAB9AALDH1A1HSD17B10AMY1A
Hydrochloric Acid SCHEMBL10961558 0.78 PDE5A (0.51) PDE5ARAB9AALDH1A1HSD17B10AMY1A
SCHEMBL10869538 0.78 SLC2A1 (0.44) EGFRPDE5ARAB9AALDH1A1CYP1A2
SCHEMBL10983982 0.76 CYP17A1 (0.33) EGFRAMY1ACYP17A1CYP11B1CYP11B2
SCHEMBL10965860 0.76 EGFR (0.32) EGFRAMY1A
SCHEMBL10980453 0.74 PDE5A (0.35) PDE5AGUSB

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
EP-0142235-A1 Naphthalenylimidazopyridine and derivatives and their preparation ELI LILLY AND COMPANY (US) 1985-05-22 EP disclosed
US-4515796-A INOTROPIC, BRONCHODILATOR, VASODILATORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed