SCHEMBL11020193

SCHEMBL11020193

CCNCC1CCN(c2c(CC(F)F)cc3c(=O)c(C(=O)O)c[nH]c3c2CC(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK3 Q16644 2/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
FLT4 P35916 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PRKCD Q05655 1/20 0.38
PAK1 Q13153 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TSHR P16473 1/20 0.35
KCNH2 Q12809 4/20 0.35
PIM3 Q86V86 2/20 0.35
RPS6KB1 P23443 1/20 0.35
MATK P42679 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 3/20 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
SCHEMBL11025809 0.89 MAPKAPK3 (0.45) MAPKAPK3PIM1CDK2FLT4CSNK2A1
SCHEMBL10866859 0.78 KCNH2 (0.41) MAPKAPK3PIM1CDK2FLT4CSNK2A1
SCHEMBL11023386 0.77 KCNH2 (0.43) MAPKAPK3PIM1CDK2FLT4CSNK2A1
SCHEMBL10754015 0.74 CSNK2A2 (0.42) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL10530538 0.73 KCNH2 (0.43) MAPKAPK3PIM1CDK2FLT4CSNK2A1
SCHEMBL11036161 0.72 CYP1A2 (0.47) TSHRDYRK1AUSP2KDM4EHPGD
SCHEMBL10913879 0.72 CYP1A2 (0.47) USP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10912987 0.71 MAPKAPK3 (0.36) MAPKAPK3PIM1CDK2FLT4CSNK2A1
SCHEMBL10757080 0.70 KCNH2 (0.45) KCNH2KDM4EHPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL10862782 0.70 KCNH2 (0.41) MAPKAPK3PIM1CDK2FLT4CSNK2A1

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-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed