SCHEMBL6545189

SCHEMBL6545189

NC(=O)C1(c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.46
TTK P33981 5/20 0.44
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MAP2K4 P45985 6/20 0.41
MAPK1 P28482 4/20 0.41
MAPKAPK3 Q16644 3/20 0.41
MAPK6 Q16659 3/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL6545463 0.94 TTK (0.43) MAPKAPK2TTKPRKAB2PRKAG1PRKAA2
SCHEMBL6545805 0.89 CDK4 (0.42) MAPKAPK2TTKPRKAB2PRKAG1PRKAA2
SCHEMBL6545642 0.80 MAPKAPK2 (0.41) MAPKAPK2TTKMAP2K4MAPK1MAPKAPK3
SCHEMBL5374570 0.78 MAP2K4 (0.59) MAPKAPK2TTKMAP2K4MAPK1MAPKAPK3
SCHEMBL6545151 0.75 TTK (0.49) TTKMAPK8SYK
SCHEMBL5388479 0.75 TTK (0.45) MAPKAPK2TTKMAP2K4MAPK1MAPKAPK3
SCHEMBL2855850 0.74 MAP2K4 (0.59) MAPKAPK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5383655 0.72 CSNK1D (0.41) MAPKAPK2TTKMAP2K4MAPK1MAPKAPK3
SCHEMBL13927625 0.71 IDO1 (0.63) MAPKAPK2TTKMAP2K4MAPK1MAPKAPK3
SCHEMBL5377042 0.71 TTK (0.43) MAPKAPK2TTKPRKAB2PRKAG1PRKAA2

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