SCHEMBL14966299

SCHEMBL14966299

Cc1nc2nc(N)c(C(N)=O)cc2c(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.44
LMNA P02545 1/20 0.41
EEF2K O00418 4/20 0.40
IKBKB O14920 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
EEF2 P13639 1/20 0.35
ACHE P22303 6/20 0.34
PIK3CB P42338 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
SCHEMBL14968912 0.82 RCE1 (0.38) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14968935 0.74 EEF2K (0.46) RCE1LMNAEEF2KIKBKBKDM4E
SCHEMBL14968947 0.73 IKBKB (0.39) RCE1LMNAEEF2KIKBKBKDM4E
SCHEMBL31692851 0.73 IKBKB (0.46) RCE1LMNAEEF2KIKBKBKDM4E
SCHEMBL14969024 0.72 RCE1 (0.36) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969185 0.71 RCE1 (0.38) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969053 0.71 EEF2K (0.41) RCE1EEF2KIKBKBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5253404 0.71 IKBKB (0.45) RCE1LMNAEEF2KIKBKBKDM4E
SCHEMBL14969004 0.70 IKBKB (0.36) RCE1EEF2KIKBKBKDM4EALDH1A1
SCHEMBL14969098 0.70 RCE1 (0.36) RCE1EEF2KIKBKBKDM4EALDH1A1

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