SCHEMBL10528152

SCHEMBL10528152

O=c1nc2ncccc2c2[nH]cccc1-2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
IDO1 P14902 6/20 0.40
HCAR2 Q8TDS4 6/20 0.40
GSK3B P49841 1/20 0.37
ELANE P08246 1/20 0.36
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 0.36
ACVR1 Q04771 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 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
SCHEMBL17967674 0.73 PDE5A (0.41) F2F10F7F3IDO1
SCHEMBL7377865 0.67 ACVR1 (0.55) ACVR1
SCHEMBL10525022 0.64 PARP1 (0.44) HCAR2AXLNUDT1
SCHEMBL9671708 0.64 NR4A2 (0.42) GSK3BAXLNUDT1ACVR1
SCHEMBL5891633 0.64 DAO (0.47) TDP2NSD2ABL1PLCG1CES1
SCHEMBL2693525 0.62 HCAR2 (0.42) F2F10F7F3IDO1
SCHEMBL8967704 0.62 CYP3A4 (0.46) F2F10F7F3IDO1
SCHEMBL11299370 0.62 KDM4E (0.42) F2F10F7F3IDO1
SCHEMBL1710995 0.61 NPC1 (0.45) TDP2NSD2ABL1PLCG1CES1
SCHEMBL8600442 0.61 AXL (0.46) HCAR2AXLNUDT1

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-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 EP disclosed