SCHEMBL6027094

SCHEMBL6027094

Cc1nc2c(NCc3ccccc3)nccc2n1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
PDE4B Q07343 1/20 0.54
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDK1 P06493 5/20 0.47
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CDK2 P24941 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 1/20 0.44
TMIGD3 P0DMS9 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2B P29275 2/20 0.44
NOS2 P35228 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
SCHEMBL4461641 0.83 ADORA2A (0.52) CYP3A4CYP1A2CYP2C9CYP2C19PDE4B
SCHEMBL24667246 0.78 CDK1 (0.63) CYP3A4CYP1A2PDE4BMAPK1SMN1; SMN2
SCHEMBL6027654 0.74 ATP4A (0.51) CYP3A4CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2477105 0.73 NOS2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19PDE4B
SCHEMBL11916177 0.73 KDM4E (0.48) CYP3A4MAPK1SMN1; SMN2GAANOS2
SCHEMBL17819089 0.71 TLR7 (0.69) PDE4B
SCHEMBL2473647 0.70 UTS2R (0.44) PDE4BCDK1GAAEGFRADORA1
Hydrochloric Acid SCHEMBL1738374 0.69 KMT2A (0.43) MAPK1SMN1; SMN2CDK1GAAEGFR
SCHEMBL11563231 0.68 EGFR (0.54) CYP3A4CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL20715524 0.68 NOS2 (0.50) CYP3A4CYP1A2CYP2C19CDK1CYP2D6

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-1670795-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO 4,5-C PYRIDINES ALTANA Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005026164-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO[4,5-C]PYRIDINES ALTANA PHARMA AG (DE) 2005-03-24 WO disclosed