SCHEMBL8320628

SCHEMBL8320628

Nc1ccnc2[nH]cc(C=C3C(=O)Nc4ncccc43)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.53
NTRK1 P04629 3/20 0.48
RAF1 P04049 1/20 0.48
MAPT P10636 3/20 0.46
APP P05067 2/20 0.46
SNCA P37840 2/20 0.46
CTRC Q99895 1/20 0.43
FLT3 P36888 2/20 0.40
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
SRC P12931 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GSK3B P49841 1/20 0.38
JAK3 P52333 1/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8321481 0.86 CHEK1 (0.53) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8322104 0.86 CHEK1 (0.50) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8318087 0.85 CHEK1 (0.49) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8319684 0.84 CHEK1 (0.50) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8319826 0.83 CHEK1 (0.50) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8326162 0.83 CHEK1 (0.49) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL6288779 0.82 CHEK1 (0.76) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL6288777 0.82 CHEK1 (0.76) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL8323351 0.74 NTRK1 (0.50) CHEK1NTRK1RAF1MAPTAPP
SCHEMBL12537519 0.74 NTRK1 (0.67) CHEK1NTRK1RAF1MAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741726-B1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-11-17 EP claimed
EP-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 EP claimed
WO-1996016964-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A (IT) 1996-06-06 WO claimed
EP-0741726-B1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-11-17 EP disclosed
US-5719135-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1998-02-17 US disclosed
EP-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 EP disclosed
WO-1996016964-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A (IT) 1996-06-06 WO disclosed