SCHEMBL8590004

SCHEMBL8590004

NCC(=O)NCCNc1ccc2c(c1)C(=Cc1ccnc3ccccc13)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 11/20 0.41
PAK1 Q13153 2/20 0.41
NTRK1 P04629 4/20 0.40
PDK1 Q15118 2/20 0.40
PDPK1 O15530 1/20 0.38
AKT2 P31751 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL8614775 0.82 NTRK1 (0.44) TLK2NTRK1PDK1PDPK1AKT2
SCHEMBL8527884 0.82 AKT2 (0.58) TLK2PDK1PDPK1AKT2
SCHEMBL8530485 0.80 DHFR (0.42) TLK2PAK1NTRK1PDK1CHEK1
SCHEMBL8530156 0.77 PDPK1 (0.55) NTRK1PDPK1CHEK1
SCHEMBL8585839 0.77 TLK2 (0.49) TLK2PAK1PDK1
SCHEMBL8529757 0.76 PDPK1 (0.58) TLK2NTRK1PDPK1CHEK1
SCHEMBL8529758 0.76 PDPK1 (0.52) NTRK1PDPK1CHEK1
SCHEMBL8508649 0.76 RPS6KA3 (0.54) NTRK1PDPK1CHEK1
SCHEMBL8530158 0.76 RET (0.45) NTRK1PDPK1CHEK1
SCHEMBL8301615 0.76 TLK2 (0.58) TLK2PDPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876365-A1 SUBSTITUTED QUINOLYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1998-11-11 EP disclosed
WO-1997046551-A1 SUBSTITUTED QUINOLYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-11 WO disclosed