SCHEMBL13940969

SCHEMBL13940969

NCc1cc2cn[nH]c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK1 Q13464 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NOS1 P29475 6/20 0.40
METAP2 P50579 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 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
Hydrochloric Acid SCHEMBL7221088 0.98 CHEK1 (0.46) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL10235446 0.81 TRPA1 (0.43) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL4996798 0.81 DYRK1A (0.48) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL15541878 0.81 CHEK1 (0.42) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL21938565 0.78 PIM1 (0.50) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL23119370 0.77 NOS1 (0.41) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL20627222 0.77 CHEK1 (0.39) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL16371204 0.74 CHEK1 (0.57) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL31391737 0.73 FGFR1 (0.40) CHEK1MAPTKDM4EMEN1KMT2A
SCHEMBL23901315 0.73 FGFR1 (0.40) CHEK1MAPTKDM4EMEN1KMT2A

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-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-7482357-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed