SCHEMBL12970141

SCHEMBL12970141

Cc1cnc(-c2ccc(CO)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.47
▸ EP300 Q09472 2/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ FYN P06241 4/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ MAPKAPK3 Q16644 1/20 0.39
▸ MAPK6 Q16659 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ TLR7 Q9NYK1 2/20 0.37
▸ RPS6KA3 P51812 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL12970125 0.85 MAP2K4 (0.48) MAP2K4EP300FYNHDAC1MALT1
SCHEMBL24602339 0.82 RPS6KA3 (0.45) MAPK1DHODHRPS6KA3CYP11B1CYP11B2
SCHEMBL12970557 0.82 MAP2K4 (0.46) MAP2K4EP300FYNHDAC1MALT1
SCHEMBL12970528 0.80 FYN (0.48) MAP2K4EP300FYNPOLB
SCHEMBL31665020 0.80 KIF11 (0.49) MAP2K4EP300KIF11FYNPOLB
SCHEMBL13562426 0.79 FYN (0.46) MAP2K4EP300KIF11FYNMKNK1
SCHEMBL17249597 0.74 MAP2K4 (0.46) MAP2K4KIF11HDAC1MAPK1MAPKAPK2
SCHEMBL29502570 0.73 AGBL2 (0.43) MAP2K4EP300KIF11FYNPOLB
SCHEMBL12970086 0.73 MKNK1 (0.43) MAP2K4FYNMKNK1MKNK2
SCHEMBL31521744 0.72 MKNK1 (0.47) MAP2K4KIF11FYNDHODHMKNK1

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
WO-2012133607-A1 PYRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2012-10-04 — — WO disclosed
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