Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27870863

CC(C)(C)OC(=O)N1CCC1n1cnc(-c2ccc(F)cc2)c1-c1ccncn1.N

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.45
MAPK14 Q16539 16/20 0.44
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
CSNK1D P48730 4/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
PRKCA P17252 2/20 0.42
CSNK1A1 P48729 2/20 0.42
MINK1 Q8N4C8 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
CYP1A2 P05177 1/20 0.42
LCK P06239 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1640964 0.85 MAPK14 (0.59) TGFBR1MAPK14MAPK13MAPK12MAPK11
Ammonia Solution, Strong SCHEMBL27870854 0.84 TGFBR1 (0.62) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12727178 0.83 TGFBR1 (0.55) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7168832 0.76 MAPK14 (0.63) MAPK14
SCHEMBL1639277 0.76 GPR119 (0.50) TGFBR1MAPK14EGFR
SCHEMBL6955184 0.76 MAPK14 (0.62) MAPK14
SCHEMBL6951373 0.76 MAPK14 (0.66) MAPK14
SCHEMBL23410405 0.75 MAPK14 (0.49) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6949291 0.75 TGFBR1 (0.42) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6943768 0.75 MAPK14 (0.62) MAPK14

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
CN-102686580-A Imidazole derivatives as casein kinase inhibitors PFIZER 2012-09-19 CN disclosed