SCHEMBL5198985

SCHEMBL5198985

CN(C)c1cc(Nc2ccccc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
AR P10275 1/20 0.47
HTT P42858 1/20 0.45
ACVRL1 P37023 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.43
CHEK1 O14757 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
NPC1 O15118 1/20 0.43
PDPK1 O15530 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL883796 0.77 EED (0.37) TAAR1ALDH1A1MAPK1CHEK1HSD17B10
SCHEMBL31494286 0.76 NPSR1 (0.53) ALDH1A1MEN1KMT2AMAPTAR
SCHEMBL7659797 0.76 NPSR1 (0.53) ALDH1A1MEN1KMT2AMAPTAR
SCHEMBL16624995 0.74 AURKA (0.64) TAAR1ALDH1A1MAPTMAPK1CHEK1
SCHEMBL11317380 0.74 MEN1 (0.55) TAAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16415443 0.74 SCN9A (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL31004502 0.74 SCN9A (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL29066282 0.73 ACVRL1 (0.61) ALDH1A1MEN1KMT2AMAPTAR
SCHEMBL25124747 0.73 ADRA2A (0.36) ALDH1A1KMT2AMAPTHTTHSD17B10
SCHEMBL19476585 0.73 FLT4 (0.57) ALDH1A1MEN1KMT2AMAPTAR

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
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed