SCHEMBL8575449

SCHEMBL8575449

O=[N+]([O-])c1cccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.78
CDK1 P06493 6/20 0.78
SRC P12931 6/20 0.78
ABL1 P00519 7/20 0.73
PRKCA P17252 5/20 0.73
PDE5A O76074 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ABL2 P42684 1/20 0.47
IGF1R P08069 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL4530385 0.88 EGFR (1.00) EGFRCDK1SRCABL1PRKCA
SCHEMBL1406521 0.85 EGFR (0.89) EGFRCDK1SRCABL1PRKCA
SCHEMBL6185419 0.85 EGFR (1.00) EGFRCDK1SRCABL1PRKCA
SCHEMBL8580911 0.84 EGFR (0.88) EGFRCDK1SRCABL1PRKCA
Hydrochloric Acid SCHEMBL8653420 0.84 EGFR (0.88) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579561 0.83 EGFR (0.86) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579562 0.83 EGFR (0.81) EGFRCDK1SRCABL1PRKCA
SCHEMBL8123060 0.83 EGFR (1.00) EGFRCDK1SRCABL1PRKCA
SCHEMBL6192028 0.83 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL8114707 0.82 EGFR (0.79) EGFRCDK1SRCABL1PRKCA

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
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO claimed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed