SCHEMBL4844737

SCHEMBL4844737

CN(C)C(=O)C(Nc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12)Nc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.41
MAPK11 Q15759 1/20 0.38
CTSA P10619 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL4842888 0.91 MAPK14 (0.41) MAPK14MAPK11CTSADGAT2LPAR2
SCHEMBL4837625 0.91 MAPK14 (0.39) MAPK14MAPK11CTSADGAT2LPAR2
SCHEMBL14019008 0.91 MAPK14 (0.39) MAPK14MAPK11CTSADGAT2LPAR2
SCHEMBL14019012 0.91 MAPK14 (0.41) MAPK14MAPK11CTSADGAT2LPAR2
SCHEMBL4842004 0.85 MAPK14 (0.40) MAPK14MAPK11CTSADGAT2LPAR2
SCHEMBL4837496 0.85 MAPK14 (0.42) MAPK14MAPK11CTSALPAR2
SCHEMBL14018995 0.85 MAPK14 (0.42) MAPK14MAPK11CTSALPAR2
SCHEMBL14018785 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL4840856 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL4832594 0.84 MAPK14 (0.42) MAPK14MAPK11CTSA

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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US claimed