SCHEMBL2604029

SCHEMBL2604029

Cc1ccc(N)cc1Oc1ccnc(N)c1N=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ NOS3 P29474 4/20 0.34
▸ NOS2 P35228 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CYP3A4 P08684 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ BCR P11274 1/20 0.30

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
SCHEMBL13610891 0.78 MEN1 (0.43) ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL1794794 0.76 LMNA (0.55) LMNAALDH1A1CYP3A4TSHRRECQL
SCHEMBL9910290 0.72 CDK1 (0.39) LMNAALDH1A1CYP3A4TSHRKMT2A
SCHEMBL12528205 0.71 NOS2 (0.54) NOS3NOS2ALDH1A1NOS1KMT2A
SCHEMBL2603884 0.71 MAPT (0.35) CYP3A4KMT2A
SCHEMBL1793425 0.69 BRAF (0.46) —
SCHEMBL25277328 0.69 KMT2A (0.52) LMNANOS3NOS2ALDH1A1CASP1
SCHEMBL31290944 0.69 ROCK2 (0.49) CYP3A4ABL1
SCHEMBL24885851 0.69 ROCK2 (0.49) CYP3A4ABL1
SCHEMBL18688398 0.69 SRC (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013207-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2012-04-25 — — EP disclosed
Send feedback