SCHEMBL8398281

SCHEMBL8398281

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.39
JUN P05412 4/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
CFTR P13569 2/20 0.36
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.34
CNR2 P34972 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6475927 0.89 MAPT (0.60) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL8395161 0.87 KDM4E (0.56) MAPTALDH1A1KDM4EJUNNFKB1
SCHEMBL8396937 0.84 KDM4E (0.41) MAPTGAAALDH1A1KDM4EJUN
SCHEMBL8398360 0.80 NFKB1 (0.56) MAPTGAAJUNNFKB1NFKB2
SCHEMBL8721355 0.78 MAPT (0.41) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL8722111 0.77 NFKB1 (0.60) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL8396932 0.76 KDM4E (0.70) MAPTGAAKDM4EJUNNFKB1
SCHEMBL15038313 0.71 KDM4E (0.72) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL4592101 0.69 MAPT (0.57) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL8889739 0.69 MAPT (0.48) MAPTGAAALDH1A1KMT2AKDM4E

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 3 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
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