SCHEMBL6185978

SCHEMBL6185978

Cn1nnc(-c2cccc(C=O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
BRD4 O60885 1/20 0.42
ACLY P53396 1/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARA Q07869 1/20 0.38
UNG P13051 1/20 0.38

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
SCHEMBL6569493 0.84 TP53 (0.41) ACLYTRPM8MAPK1PPARAALDH1A1
SCHEMBL6187257 0.81 SMN1; SMN2 (0.43) TRIM24TRIM33BRD4DYRK1ADYRK2
SCHEMBL6264 0.80 SMN1; SMN2 (0.43) BRD4PPARAALDH1A1NPC1RAB9A
SCHEMBL513853 0.77 LMNA (0.54) ACLYTRPM8PPARAALDH1A1NPC1
SCHEMBL8212790 0.77 ACLY (0.53) ACLYTRPM8MAPK1NPC1RAB9A
SCHEMBL8205448 0.76 XPO1 (0.48) ACLYTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL1823889 0.76 TRPM8 (0.42) ACLYTRPM8MAPK1PPARAALDH1A1
SCHEMBL926466 0.76 LMNA (0.45) ACLYTRPM8PPARAALDH1A1NPC1
SCHEMBL1092403 0.76 AHR (0.45) ACLYTRPM8PPARAALDH1A1NPC1
SCHEMBL1628780 0.76 HSD17B2 (0.58) ACLYTRPM8MAPK1PPARANPC1

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 6 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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed