SCHEMBL7600600

SCHEMBL7600600

O=C1Nc2ccc(NC(=O)C(O)CO)cc2/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.59
TLK2 Q86UE8 12/20 0.50
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
SRC P12931 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PAK1 Q13153 2/20 0.48
PDPK1 O15530 3/20 0.46
AKT2 P31751 2/20 0.46
PDK1 Q15118 2/20 0.46

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
SCHEMBL7600606 1.00 CHEK1 (0.59) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL8635460 0.86 PAK1 (0.63) CHEK1TLK2PAK1PDPK1AKT2
SCHEMBL8635465 0.86 PAK1 (0.63) CHEK1TLK2PAK1PDPK1AKT2
SCHEMBL7552833 0.85 CHEK1 (0.66) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL7552840 0.85 CHEK1 (0.66) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL7552077 0.85 CHEK1 (0.60) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL7552071 0.85 CHEK1 (0.60) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL7556312 0.83 CHEK1 (0.58) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL7556317 0.83 CHEK1 (0.58) CHEK1TLK2CHEK2CDK1SRC
SCHEMBL8585839 0.83 TLK2 (0.49) TLK2PAK1PDK1

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