SCHEMBL8614775

SCHEMBL8614775

CN(C)CCNc1ccc2c(c1)C(=Cc1ccnc3ccccc13)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.44
RET P07949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FLT3 P36888 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
AKT2 P31751 2/20 0.43
TLK2 Q86UE8 3/20 0.42
SRC P12931 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PDPK1 O15530 1/20 0.41
PDK1 Q15118 1/20 0.41
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL8590004 0.82 TLK2 (0.41) NTRK1AKT2TLK2PDPK1PDK1
SCHEMBL8529757 0.81 PDPK1 (0.58) NTRK1RETTDP1TLK2PDPK1
SCHEMBL8530485 0.81 DHFR (0.42) NTRK1TLK2PDK1CHEK1
SCHEMBL8527884 0.79 AKT2 (0.58) AKT2TLK2PDPK1PDK1
SCHEMBL8506472 0.77 TDP1 (0.47) NTRK1RETTDP1FLT3CHEK1
SCHEMBL7131127 0.77 NTRK1 (0.47) NTRK1RETTDP1FLT3LRRK2
SCHEMBL8508649 0.77 RPS6KA3 (0.54) NTRK1RETTDP1FLT3PDPK1
SCHEMBL8529758 0.77 PDPK1 (0.52) NTRK1RETTDP1FLT3PSEN1
SCHEMBL8585839 0.76 TLK2 (0.49) TLK2PDK1
SCHEMBL8530158 0.76 RET (0.45) NTRK1RETTDP1FLT3PDPK1

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