SCHEMBL7937749

SCHEMBL7937749

COc1ccc(CNc2n[nH]cc2C(N)=O)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.51
PDE4B Q07343 11/20 0.49
PDE4D Q08499 8/20 0.49
PDE4A P27815 7/20 0.49
PDE4C Q08493 7/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.45
MAPK14 Q16539 1/20 0.43

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
SCHEMBL7415564 0.92 TPH1 (0.51) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL19389980 0.88 TPH1 (0.41) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7412528 0.88 TPH1 (0.47) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7471407 0.84 PDE4B (0.50) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL2467226 0.83 RECQL (0.53) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7491680 0.82 PDE4D (0.61) PDE4BPDE4DPDE4APDE4C
SCHEMBL7418284 0.81 RECQL (0.47) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7422273 0.80 RECQL (0.47) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7242904 0.78 TPH1 (0.47) TPH1PDE4BPDE4DPDE4APDE4C
SCHEMBL7088472 0.78 PDE4B (0.65) TPH1PDE4BPDE4DPDE4APDE4C

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
EP-2308833-A2 Cyclic protein tyrosine kinase inhibitors Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed
US-6248769-B1 ANTIINFLAMMATORY AGENT EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed
US-6103749-A PHENYL IMIDAZOLE COMPOUNDS USEFUL FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION AND DEPRESSION EURO-CELTIQUE S.A. (LU) 2000-08-15 US disclosed
US-5922751-A BRONCHODILATOR AND ANTIINFLAMMATORY AGENT WITHOUT UNDESIRABLE CARDIOVASCULAR STIMULATION CAUSED BY PHOSPHODIESTERASE III INHIBITOR EURO-CELTIQUE, S.A. (LU) 1999-07-13 US disclosed