SCHEMBL18559548

SCHEMBL18559548

CC(N)c1ccc2cn[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 5/20 0.50
NOS1 P29475 3/20 0.50
DYRK1A Q13627 2/20 0.50
METAP2 P50579 2/20 0.50
F2 P00734 1/20 0.50
FGFR1 P11362 7/20 0.46
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
ROCK2 O75116 2/20 0.44
CHEK1 O14757 1/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL1754871 0.86 ROCK2 (0.55) MAPTKDM4EMEN1KMT2APKM
SCHEMBL22079235 0.86 ROCK2 (0.55) MAPTKDM4EMEN1KMT2APKM
SCHEMBL263567 0.86 ROCK2 (0.55) MAPTKDM4EMEN1KMT2APKM
SCHEMBL84390 0.85 MAPT (0.60) MAPTKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL28598924 0.84 ROCK2 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1210017 0.84 ROCK2 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1210209 0.84 ROCK2 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28598925 0.84 ROCK2 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29915566 0.84 ROCK2 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21510145 0.82 MAPT (0.50) MAPTKDM4EMEN1KMT2APKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed