SCHEMBL7953309

SCHEMBL7953309

CC(C)c1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NR4A1 P22736 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ROCK2 O75116 12/20 0.42
KDR P35968 3/20 0.41
ROCK1 Q13464 2/20 0.39
PDGFRB P09619 2/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL7951767 0.87 MAPT (0.47) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7951869 0.86 EGFR (0.44) MAPTSMN1; SMN2HSP90AA1ROCK2KDR
SCHEMBL7958537 0.85 MAPT (0.45) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL6293953 0.85 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL7958661 0.85 KDR (0.47) MAPTSMN1; SMN2ROCK2KDRROCK1
SCHEMBL7951760 0.85 MAPT (0.61) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7955615 0.84 HTR1D (0.40) MAPTALOX15ALOX12NR4A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8140883 0.84 MAPT (0.44) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7953978 0.84 KMT2A (0.53) MAPTALOX15ALOX12NR4A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6294000 0.84 ROCK2 (0.54) ROCK2ROCK1

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 2 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