SCHEMBL6189300

SCHEMBL6189300

O=CNCCCNc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.67
CDK1 P06493 10/20 0.67
SRC P12931 10/20 0.67
ABL1 P00519 16/20 0.66
PRKCA P17252 10/20 0.66
ABL2 P42684 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45

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
SCHEMBL6188881 0.99 EGFR (0.69) EGFRCDK1SRCABL1PRKCA
SCHEMBL6185652 0.94 EGFR (0.70) EGFRCDK1SRCABL1PRKCA
Hydrochloric Acid SCHEMBL6184769 0.86 EGFR (0.71) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188074 0.86 EGFR (0.71) EGFRCDK1SRCABL1PRKCA
Hydrochloric Acid SCHEMBL6185929 0.86 EGFR (0.71) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186746 0.86 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL8125459 0.86 EGFR (0.74) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187292 0.85 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186672 0.85 EGFR (0.76) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190187 0.85 EGFR (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed