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SCHEMBL4844747

SCHEMBL4844747

CN(C)C(=O)CNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12.Nc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.38
▸ MAPK11 Q15759 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.34
▸ TRPA1 O75762 1/20 0.32
▸ CTSA P10619 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL4842004 0.95 MAPK14 (0.40) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4845132 0.87 MAPK14 (0.41) MAPK14MAPK11LPAR2TRPA1CTSA
SCHEMBL4844592 0.86 MAPK14 (0.43) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4013741 0.85 MAPK14 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4844959 0.83 CCNT1 (0.39) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4833047 0.82 MAPK14 (0.41) MAPK14MAPK11LPAR2TRPA1CTSA
SCHEMBL4844737 0.82 MAPK14 (0.41) MAPK14MAPK11LPAR2CTSADGAT2
SCHEMBL4841418 0.82 MAPK14 (0.41) MAPK14MAPK11LPAR2CARM1
SCHEMBL4837403 0.81 MAPK14 (0.42) MAPK14MAPK11LPAR2CTSAFFAR1
SCHEMBL4013149 0.81 MAPK14 (0.40) MAPK14MAPK11TRPA1CTSA

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