SCHEMBL7958537

SCHEMBL7958537

CCc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A1 P22736 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ROCK2 O75116 11/20 0.41
ROCK1 Q13464 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
LCK P06239 1/20 0.40
MAPK14 Q16539 1/20 0.40
ABL1 P00519 1/20 0.40
LYN P07948 1/20 0.40
BCR P11274 1/20 0.40
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 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
Hydrochloric Acid SCHEMBL8140883 0.99 MAPT (0.44) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7955662 0.92 MAPT (0.42) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7951760 0.87 MAPT (0.61) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7951743 0.86 MAPT (0.52) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7953316 0.85 PDGFRB (0.47) MAPTSMN1; SMN2ROCK2ROCK1PDGFRB
SCHEMBL7945228 0.85 ABL1 (0.48) ABL1BCRPDGFRB
SCHEMBL7955615 0.85 HTR1D (0.40) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7953978 0.85 KMT2A (0.53) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7953309 0.85 MAPT (0.42) MAPTALOX15ALOX12NR4A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8128962 0.85 PDGFRB (0.47) MAPTSMN1; SMN2ROCK2ROCK1PDGFRB

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