SCHEMBL7552077

SCHEMBL7552077

O=C1Nc2ccc(NCC(O)CO)cc2C1=Cc1c[nH]c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.60
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
NTRK1 P04629 10/20 0.43
PAK1 Q13153 2/20 0.43
PDK1 Q15118 1/20 0.43
DHFR P00374 1/20 0.41
KDR P35968 1/20 0.41
PDPK1 O15530 1/20 0.41
AKT2 P31751 1/20 0.41
TLK2 Q86UE8 1/20 0.41
RET P07949 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL7552071 1.00 CHEK1 (0.60) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8583955 0.86 NTRK1 (0.57) CHEK1NTRK1PAK1DHFRKDR
SCHEMBL8583949 0.86 NTRK1 (0.57) CHEK1NTRK1PAK1DHFRKDR
SCHEMBL7600606 0.85 CHEK1 (0.59) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7600600 0.85 CHEK1 (0.59) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7551548 0.84 CHEK1 (0.60) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7551557 0.84 CHEK1 (0.60) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL8530485 0.83 DHFR (0.42) CHEK1NTRK1PAK1PDK1DHFR
SCHEMBL7552840 0.81 CHEK1 (0.66) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7552833 0.81 CHEK1 (0.66) 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