SCHEMBL6187529

SCHEMBL6187529

O=C(c1ccccc1)N1CCN(c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.53
ABL1 P00519 6/20 0.53
CDK1 P06493 4/20 0.53
PRKCA P17252 3/20 0.53
SRC P12931 3/20 0.49
KIT P10721 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
BCR P11274 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
ABL2 P42684 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
MEN1 O00255 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
SCHEMBL6187701 0.89 EGFR (0.51) EGFRABL1CDK1PRKCASRC
SCHEMBL6189653 0.86 EGFR (0.51) EGFRABL1CDK1PRKCASRC
SCHEMBL6186914 0.86 EGFR (0.48) EGFRABL1CDK1PRKCASRC
SCHEMBL6188933 0.84 MKNK1 (0.57) EGFRABL1CDK1PRKCASRC
SCHEMBL6189380 0.83 EGFR (0.47) EGFRABL1CDK1PRKCASRC
Hydrochloric Acid SCHEMBL6190351 0.82 EGFR (0.56) EGFRABL1CDK1PRKCASRC
SCHEMBL6184740 0.81 EGFR (0.55) EGFRABL1CDK1PRKCASRC
SCHEMBL6187995 0.77 EGFR (0.66) EGFRABL1CDK1PRKCASRC
SCHEMBL8115045 0.75 EGFR (0.78) EGFRABL1CDK1PRKCASRC
SCHEMBL8115748 0.74 EGFR (0.77) EGFRABL1CDK1PRKCASRC

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