SCHEMBL6218754

SCHEMBL6218754

Nc1ccn2c(-c3ccncc3)c(-c3ccccc3)nc2n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.76
MAPK13 O15264 10/20 0.76
MAPK12 P53778 10/20 0.76
MAPK11 Q15759 10/20 0.76
AKT1 P31749 7/20 0.47
AKT2 P31751 7/20 0.47

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
SCHEMBL6214877 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6218385 0.84 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6217730 0.84 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6216277 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL6216415 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4863569 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL6215685 0.77 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL18691313 0.76 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL6216442 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL6220623 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140939-B1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2005-02-09 EP claimed
US-6610697-B1 Treating rheumatoid arthritis ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-26 US claimed
EP-1140939-B1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2005-02-09 EP disclosed
US-6610697-B1 Treating rheumatoid arthritis ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-26 US disclosed
EP-1140939-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-10 EP disclosed
WO-2001034605-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-a]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-05-17 WO disclosed