SCHEMBL6188933

SCHEMBL6188933

CC(C)(C)OC(=O)N1CCN(c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.57
CDK1 P06493 6/20 0.52
EGFR P00533 9/20 0.51
SRC P12931 5/20 0.51
KIT P10721 2/20 0.49
EPHA2 P29317 1/20 0.47
ABL1 P00519 6/20 0.46
PRKCA P17252 3/20 0.46
PDGFRB P09619 2/20 0.43
PDGFRA P16234 1/20 0.43
ABL2 P42684 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL6186914 0.89 EGFR (0.48) MKNK1CDK1EGFRSRCABL1
SCHEMBL6187701 0.87 EGFR (0.51) CDK1EGFRSRCABL1PRKCA
SCHEMBL6189653 0.85 EGFR (0.51) CDK1EGFRSRCABL1PRKCA
SCHEMBL6187529 0.84 EGFR (0.53) CDK1EGFRSRCKITABL1
SCHEMBL6189380 0.81 EGFR (0.47) CDK1EGFRSRCABL1PRKCA
Hydrochloric Acid SCHEMBL6190351 0.79 EGFR (0.56) CDK1EGFRSRCABL1PRKCA
SCHEMBL6184740 0.79 EGFR (0.55) CDK1EGFRSRCABL1PRKCA
SCHEMBL8124691 0.76 CDK1 (0.76) MKNK1CDK1EGFRSRCABL1
SCHEMBL6185571 0.74 EGFR (0.60) MKNK1CDK1EGFRSRCABL1
SCHEMBL8128712 0.74 EGFR (0.66) MKNK1CDK1EGFRSRCABL1

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