SCHEMBL7954016

SCHEMBL7954016

CN1CCc2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.56
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
KCNE1 P15382 2/20 0.55
KCNQ1 P51787 2/20 0.55
KCNQ5 Q9NR82 1/20 0.55
SRC P12931 5/20 0.53
LCK P06239 3/20 0.53
MAPK14 Q16539 3/20 0.53
ABL1 P00519 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
LYN P07948 1/20 0.53
MAPK9 P45984 1/20 0.53
TEK Q02763 1/20 0.53
JAK2 O60674 5/20 0.53
PDGFRB P09619 1/20 0.52
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
P2RX1 P51575 1/20 0.50

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
Hydrochloric Acid SCHEMBL8143893 0.99 KDR (0.55) KDRKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8153346 0.87 MAPT (0.53) KDRLCKMAPK14PDGFRBLMNA
SCHEMBL7945185 0.85 RAB9A (0.49) KDRKCNQ3KCNQ2LCKMAPK14
SCHEMBL6293640 0.84 MEN1 (0.57) MAPK14P2RX1LMNA
Hydrochloric Acid SCHEMBL8126991 0.84 RAB9A (0.48) KDRKCNQ3KCNQ2LCKMAPK14
SCHEMBL7953516 0.82 SMN1; SMN2 (0.44) KDRKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7953966 0.82 TRPV1 (0.51) KDRLCKMAPK14PDGFRBLMNA
SCHEMBL7945228 0.82 ABL1 (0.48) ABL1PDGFRBBRAF
SCHEMBL7955681 0.81 MEN1 (0.46) KDRLCKMAPK14
SCHEMBL7945155 0.81 BRAF (0.51) RAF1BRAF

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-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US 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