SCHEMBL4555865

SCHEMBL4555865

CCOCCOc1ccnc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 10/20 0.59
NOS3 P29474 3/20 0.55
NOS1 P29475 3/20 0.55
NOS2 P35228 3/20 0.55
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
DYRK1A Q13627 1/20 0.40
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL15689737 0.84 NOS3 (0.60) NCF1NOS3NOS1NOS2KDM4E
SCHEMBL7499287 0.83 NOS3 (0.64) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL31348007 0.83 NOS3 (0.64) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL29615484 0.82 NOS3 (0.63) NCF1NOS3NOS1NOS2KDM4E
SCHEMBL25595272 0.82 NOS3 (0.58) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL731492 0.82 NOS3 (0.63) NCF1NOS3NOS1NOS2KDM4E
SCHEMBL11612193 0.79 TSHR (0.58) NOS3NOS1NOS2
SCHEMBL21999454 0.78 NOS3 (0.57) NOS3NOS1NOS2KDM4EMEN1
SCHEMBL26462412 0.77 NCF1 (0.46) NCF1NOS3NOS1NOS2KDM4E
SCHEMBL19950985 0.77 NOS3 (0.55) NCF1NOS3NOS1NOS2KDM4E

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
EP-2137184-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-12-30 EP disclosed
WO-2008124323-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-16 WO disclosed