SCHEMBL9635680

SCHEMBL9635680

C#CCOc1cc(-c2nc3ncccc3[nH]2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.56
PDE5A O76074 4/20 0.52
PDE2A O00408 1/20 0.51
THRB P10828 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPY5R Q15761 1/20 0.46
PARP1 P09874 2/20 0.46
PRMT5 O14744 2/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL9635658 0.96 AURKA (0.56) AURKAPDE5APDE2ATHRBKDM4E
SCHEMBL9634857 0.90 PDE5A (0.55) AURKAPDE5APDE2ANPY5RPRMT5
SCHEMBL9635725 0.90 PDE5A (0.55) AURKAPDE5APDE2ANPY5RPRMT5
SCHEMBL9636135 0.88 AURKA (0.54) AURKAPDE5APDE2ATHRBKDM4E
SCHEMBL9634352 0.85 AURKA (0.48) AURKAPDE5ANPY5RPARP1PRMT5
SCHEMBL9634821 0.85 PARP1 (0.49) AURKAPDE5APDE2ANPY5RPARP1
SCHEMBL9634875 0.82 PDE5A (0.57) AURKAPDE5APDE2AKDM4EALDH1A1
SCHEMBL9634270 0.81 PDE2A (0.61) AURKAPDE5APDE2AKDM4EALDH1A1
SCHEMBL9634619 0.81 PDE2A (0.65) AURKAPDE5APDE2AKDM4EALDH1A1
SCHEMBL9634492 0.81 AURKA (0.63) AURKAPDE5APDE2AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed