SCHEMBL7953516

SCHEMBL7953516

CN1CCc2ncc(NC(=O)c3ccc(C(C)(C)C)c(C(F)(F)F)c3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
WNT3A P56704 1/20 0.44
KDR P35968 3/20 0.42
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNE1 P15382 2/20 0.41
KCNQ1 P51787 2/20 0.41
MAPT P10636 1/20 0.41
NTRK1 P04629 2/20 0.41
ABL1 P00519 3/20 0.40
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40
EGFR P00533 1/20 0.40
BRAF P15056 1/20 0.40
PDGFRB P09619 1/20 0.40
ROCK2 O75116 1/20 0.39
KIT P10721 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL7945228 0.88 ABL1 (0.48) ABL1EGFRBRAFPDGFRBKIT
SCHEMBL7955615 0.87 HTR1D (0.40) SMN1; SMN2KDRMAPTPDGFRBROCK2
SCHEMBL7951869 0.87 EGFR (0.44) SMN1; SMN2WNT3AKDRKCNQ3KCNQ2
SCHEMBL7945155 0.87 BRAF (0.51) BRAFROCK2KIT
SCHEMBL7955614 0.85 BRAF (0.44) SMN1; SMN2KCNQ3KCNQ2BRAFROCK2
SCHEMBL7953966 0.85 TRPV1 (0.51) SMN1; SMN2KDRMAPTPDGFRB
SCHEMBL7945192 0.84 HTR2A (0.42) SMN1; SMN2WNT3AMAPTBRAFROCK2
Hydrochloric Acid SCHEMBL8130753 0.83 HTR2A (0.42) SMN1; SMN2WNT3AMAPTBRAFROCK2
SCHEMBL7954016 0.82 KDR (0.56) KDRKCNQ3KCNQ2KCNE1KCNQ1
Hydrochloric Acid SCHEMBL8143893 0.82 KDR (0.55) KDRKCNQ3KCNQ2KCNE1KCNQ1

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
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US claimed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP claimed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO claimed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed