SCHEMBL7552833

SCHEMBL7552833

NC(=O)Nc1ccc2c(c1)/C(=C\c1c[nH]c3ncccc13)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.66
AKT2 P31751 15/20 0.61
PDPK1 O15530 5/20 0.61
PDK1 Q15118 2/20 0.61
CHEK2 O96017 1/20 0.53
CDK1 P06493 1/20 0.53
SRC P12931 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PAK1 Q13153 1/20 0.50
TLK2 Q86UE8 1/20 0.49

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
SCHEMBL7552840 1.00 CHEK1 (0.66) CHEK1AKT2PDPK1PDK1CHEK2
SCHEMBL7551826 0.91 CHEK1 (0.64) CHEK1AKT2PDPK1PDK1CHEK2
SCHEMBL7551817 0.91 CHEK1 (0.64) CHEK1AKT2PDPK1PDK1CHEK2
SCHEMBL7600606 0.85 CHEK1 (0.59) CHEK1AKT2PDPK1PDK1CHEK2
SCHEMBL7600600 0.85 CHEK1 (0.59) CHEK1AKT2PDPK1PDK1CHEK2
SCHEMBL8585108 0.85 PAK1 (0.66) AKT2PDPK1PDK1PAK1
SCHEMBL8585109 0.85 PAK1 (0.66) AKT2PDPK1PDK1PAK1
SCHEMBL8467707 0.83 CHEK1 (0.73) CHEK1PDPK1CHEK2CDK1SRC
SCHEMBL8467705 0.83 CHEK1 (0.73) CHEK1PDPK1CHEK2CDK1SRC
SCHEMBL7550675 0.83 CHEK1 (0.67) CHEK1AKT2PDPK1PDK1CHEK2

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-0715628-B1 SUBSTITUTED AZAINDOLYLIDENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA SPA (IT) 2002-10-02 EP claimed