SCHEMBL8398360

SCHEMBL8398360

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 13/20 0.56
▸ JUN P05412 4/20 0.56
▸ NFKB2 Q00653 4/20 0.56
▸ RELA Q04206 4/20 0.56
▸ ATF1 P18846 10/20 0.50
▸ XPO1 O14980 5/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 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
SCHEMBL473934 0.88 ATF1 (0.62) NFKB1JUNNFKB2RELAATF1
SCHEMBL8394437 0.85 KDM4E (0.56) NFKB1JUNNFKB2RELAATF1
SCHEMBL8396865 0.81 NFKB1 (0.58) NFKB1JUNNFKB2RELAATF1
SCHEMBL8398281 0.80 MAPT (0.49) NFKB1JUNNFKB2RELAGAA
SCHEMBL4564617 0.76 ATF1 (0.45) NFKB1JUNNFKB2RELAATF1
SCHEMBL1602748 0.76 NFKB1 (0.46) NFKB1JUNNFKB2RELAATF1
SCHEMBL30110408 0.76 NFKB1 (0.46) NFKB1JUNNFKB2RELAATF1
SCHEMBL21746957 0.74 NFKB1 (0.55) NFKB1JUNNFKB2RELAATF1
SCHEMBL8398500 0.73 NFKB1 (0.53) NFKB1JUNNFKB2RELAATF1
SCHEMBL21554055 0.73 TSHR (0.45) NFKB1JUNNFKB2RELAATF1

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
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