SCHEMBL14968934

SCHEMBL14968934

Cc1cc(C(F)(F)F)nc2nc(N)c(C(N)=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
RCE1 Q9Y256 1/20 0.40
EEF2K O00418 4/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
IKBKB O14920 1/20 0.37
IDO1 P14902 1/20 0.37
GAA P10253 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
EEF2 P13639 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL14968935 0.81 EEF2K (0.46) RCE1EEF2KALDH1A1KDM4EKMT2A
SCHEMBL14968912 0.75 RCE1 (0.38) CDK8CDK19RCE1EEF2KALDH1A1
SCHEMBL14966609 0.73 IKBKB (0.41) CDK8CDK19RCE1EEF2KALDH1A1
SCHEMBL14969024 0.73 RCE1 (0.36) RCE1EEF2KALDH1A1KDM4EIKBKB
SCHEMBL14969004 0.71 IKBKB (0.36) RCE1EEF2KALDH1A1KDM4EIKBKB
SCHEMBL11727213 0.70 KDM4E (0.69) ALDH1A1KDM4EKMT2AHSP90AA1HSP90AB1
SCHEMBL14969095 0.69 ENPP1 (0.40) RCE1EEF2KALDH1A1KDM4EIKBKB
SCHEMBL14966299 0.69 RCE1 (0.44) RCE1EEF2KALDH1A1KDM4EIKBKB
SCHEMBL22717021 0.68 CDK8 (0.47) CDK8CDK19ALDH1A1KDM4EKMT2A
SCHEMBL3536841 0.68 POLB (0.46) CDK8CDK19ALDH1A1KDM4EKMT2A

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-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed