SCHEMBL7556835

SCHEMBL7556835

COC(=O)c1ccc2c(c1)C(=Cc1c[nH]c3ncccc13)C(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.66
CHEK2 O96017 1/20 0.60
CDK1 P06493 1/20 0.60
SRC P12931 1/20 0.60
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
PDPK1 O15530 1/20 0.59
AURKA O14965 1/20 0.53
RAF1 P04049 1/20 0.53
TLK2 Q86UE8 6/20 0.48
MAP2K1 Q02750 3/20 0.46
HASPIN Q8TF76 1/20 0.46
JAK3 P52333 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 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
SCHEMBL7556831 1.00 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7556054 0.91 CHEK1 (0.61) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7556047 0.91 CHEK1 (0.61) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7557254 0.90 CHEK1 (0.65) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7550684 0.85 CHEK1 (0.67) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7550675 0.85 CHEK1 (0.67) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8434107 0.85 NTRK1 (0.63) CHEK1PDPK1AURKARAF1TLK2
SCHEMBL8434110 0.85 NTRK1 (0.63) CHEK1PDPK1AURKARAF1TLK2
Hydrochloric Acid SCHEMBL8827979 0.84 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7556214 0.84 CHEK1 (0.65) 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