SCHEMBL7878698

SCHEMBL7878698

Cc1ccnc(Nc2cccc(CN)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK10 P53779 3/20 0.43
NPC1 O15118 1/20 0.42
NOS2 P35228 1/20 0.42
KDR P35968 2/20 0.42
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
IGF1R P08069 1/20 0.40
LTK P29376 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL27524202 0.87 KARS1 (0.48) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7880192 0.87 KARS1 (0.48) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7883207 0.84 NPC1 (0.47) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL27523583 0.84 KARS1 (0.46) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7872415 0.83 MAPK10 (0.46) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7880201 0.81 KARS1 (0.43) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7880781 0.81 KARS1 (0.43) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL7878572 0.80 KARS1 (0.50) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL27839436 0.78 KARS1 (0.47) KARS1MEN1KMT2AMAPK10NPC1
SCHEMBL123749 0.78 MAPK10 (0.46) KARS1MEN1KMT2AMAPK10NPC1

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-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US claimed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP claimed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed