SCHEMBL6184740

SCHEMBL6184740

Clc1cccc(Nc2ncnc3[nH]nc(N4CCOCC4)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.55
CDK1 P06493 7/20 0.55
SRC P12931 5/20 0.55
ABL1 P00519 10/20 0.54
PRKCA P17252 5/20 0.54
STK4 Q13043 2/20 0.53
STK3 Q13188 2/20 0.53
LRRK2 Q5S007 2/20 0.53
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
CHEK1 O14757 1/20 0.51
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
ABL2 P42684 2/20 0.49

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
Hydrochloric Acid SCHEMBL6190351 0.88 EGFR (0.56) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187209 0.85 EGFR (0.54) EGFRSRCABL1LRRK2ABL2
SCHEMBL6187701 0.83 EGFR (0.51) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187529 0.81 EGFR (0.53) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186914 0.81 EGFR (0.48) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189653 0.81 EGFR (0.51) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115748 0.79 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188933 0.79 MKNK1 (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189380 0.77 EGFR (0.47) EGFRCDK1SRCABL1PRKCA
SCHEMBL30295802 0.77 LRRK2 (0.67) STK4STK3LRRK2

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