SCHEMBL8395161

SCHEMBL8395161

CCOC(=O)c1cnc(NN)nc1C(F)(F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
JUN P05412 6/20 0.52
NFKB1 P19838 6/20 0.52
NFKB2 Q00653 6/20 0.52
RELA Q04206 6/20 0.52
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
FOS P01100 3/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CSNK1D P48730 1/20 0.40
DPP4 P27487 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8396932 0.90 KDM4E (0.70) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8398281 0.87 MAPT (0.49) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8394555 0.82 KDM4E (0.58) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL2354777 0.82 KDM4E (0.58) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8394437 0.81 KDM4E (0.56) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8725201 0.81 KDM4E (0.47) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8398108 0.80 RAB9A (0.64) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8396937 0.80 KDM4E (0.41) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8398161 0.79 RAB9A (0.49) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL8398390 0.78 JUN (0.60) KDM4EJUNNFKB1NFKB2RELA

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
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed