SCHEMBL6545000

SCHEMBL6545000

NS(=O)(=O)Cc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.40
MAPKAPK2 P49137 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
KDR P35968 1/20 0.38
ENPP1 P22413 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAP2K4 P45985 2/20 0.36
MAP2K7 O14733 1/20 0.36
BTK Q06187 1/20 0.35
CA12 O43570 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL6545434 0.84 CDK4 (0.45) TTKMAPKAPK2CDK4CCNA2CCND1
SCHEMBL2863193 0.78 MAPKAPK2 (0.46) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL6545436 0.77 TTK (0.49) TTKMAPKAPK2CDK4CCNA2CCND1
SCHEMBL2870195 0.76 MAP2K4 (0.43) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2857443 0.74 CA12 (0.46) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL2867525 0.71 ALPL (0.50) MAPKAPK2CDK4CCNA2CCND1CDK2
SCHEMBL13198220 0.69 DHODH (0.46) CDK4CCNA2CCND1CDK2CCND3
Cyclopropanecarboxylic Acid Amide SCHEMBL2861585 0.69 NPC1 (0.40) TTKMAPKAPK2CDK4CCNA2CCND1
SCHEMBL4327031 0.69 MTNR1A (0.41) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4339304 0.68 SCN9A (0.39) TTKMAPKAPK2CDK4CCNA2CCND1

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