SCHEMBL7551817

SCHEMBL7551817

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.64
CHEK2 O96017 1/20 0.52
CDK1 P06493 1/20 0.52
SRC P12931 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
AKT2 P31751 9/20 0.51
PDPK1 O15530 4/20 0.51
PDK1 Q15118 2/20 0.51
PAK1 Q13153 2/20 0.47
TLK2 Q86UE8 4/20 0.46
NTRK1 P04629 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL7551826 1.00 CHEK1 (0.64) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7552840 0.91 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7552833 0.91 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7550675 0.86 CHEK1 (0.67) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7550684 0.86 CHEK1 (0.67) CHEK1CHEK2CDK1SRCCSNK2A2
Hydrochloric Acid SCHEMBL8827979 0.85 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8587229 0.85 PAK1 (0.63) CHEK1AKT2PDPK1PDK1PAK1
SCHEMBL8587231 0.85 PAK1 (0.63) CHEK1AKT2PDPK1PDK1PAK1
SCHEMBL8467705 0.83 CHEK1 (0.73) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8467707 0.83 CHEK1 (0.73) CHEK1CHEK2CDK1SRCCSNK2A2

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