SCHEMBL2603522

SCHEMBL2603522

COc1cc(N)cc(Oc2ccnc(N)c2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
NOS1 P29475 1/20 0.42
DDR2 Q16832 1/20 0.39
KDR P35968 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37

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
SCHEMBL1794422 0.79 LMNA (0.40) FYNALDH1A1MEN1KMT2A
SCHEMBL29745025 0.75 NOS3 (0.52) NOS3NOS2NOS1DYRK1AALDH1A1
SCHEMBL2954177 0.75 NOS3 (0.52) NOS3NOS2NOS1DYRK1AALDH1A1
SCHEMBL29186569 0.74 EGFR (0.52) DDR2KDRNPC1PDGFRBPDGFRA
SCHEMBL30051292 0.74 EGFR (0.52) DDR2KDRNPC1PDGFRBPDGFRA
SCHEMBL13603220 0.73 NOS3 (0.47) NOS3NOS2KDRALDH1A1MEN1
SCHEMBL1146056 0.73 ADORA2A (0.42) NOS3NOS2NOS1CYP3A4CYP1A2
SCHEMBL1165314 0.72 FYN (0.52) FYNNOS3NOS2NOS1PRKACA
SCHEMBL12616282 0.72 ALDH1A1 (0.55) NOS3NOS2ALDH1A1MEN1KMT2A
SCHEMBL116606 0.71 ALDH1A1 (0.69) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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