SCHEMBL6545642

SCHEMBL6545642

NC(=O)C1(c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC=CS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.41
MAP2K4 P45985 5/20 0.39
MAPK1 P28482 4/20 0.39
MAPKAPK3 Q16644 3/20 0.39
MAPK6 Q16659 3/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
KDR P35968 1/20 0.37
TTK P33981 5/20 0.36
MAPK8 P45983 2/20 0.36
MAP3K5 Q99683 1/20 0.34
CA12 O43570 1/20 0.34
MAPK9 P45984 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
SCHEMBL6545189 0.80 MAPKAPK2 (0.46) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL6545463 0.77 TTK (0.43) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL6545805 0.73 CDK4 (0.42) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5374570 0.73 MAP2K4 (0.59) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2855850 0.69 MAP2K4 (0.59) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL13927625 0.66 IDO1 (0.63) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2861069 0.66 ALPL (0.54) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2861016 0.66 ITK (0.68) MAPKAPK2TTKMAPK8
SCHEMBL13635799 0.65 MAPKAPK2 (0.45) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2871320 0.65 PDPK1 (0.66) MAPKAPK2MAPK10

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
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed