SCHEMBL8890218

SCHEMBL8890218

N#Cc1nn(C2CCCCC2)c(N)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
GALR3 O60755 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL1074501 0.85 CTSK (0.49) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL4498872 0.82 HPGD (0.51) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL28500929 0.82 ALDH1A1 (0.40) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL18988308 0.80 KDM4E (0.38) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL1717600 0.80 HPGD (0.49) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL8889916 0.78 ALDH1A1 (0.38) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL31194665 0.78 GAA (0.46) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL31194470 0.77 HPGD (0.46) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL7306254 0.76 GAA (0.47) CTSKALDH1A1KDM4EMAPK1HPGD
SCHEMBL7308000 0.76 LMNA (0.38) CTSKALDH1A1KDM4EMAPK1HPGD

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
WO-1997008149-A1 SUBSTITUTED 5-AMINOPYRAZOLS AND THEIR USE FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed