SCHEMBL20009658

SCHEMBL20009658

CCC1CCN(/C(C)=C/C(=N)c2cccnc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CYP2C19 P33261 2/20 0.37
KIF18A Q8NI77 2/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR8 P51685 1/20 0.35
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM4 P08173 1/20 0.34
F2 P00734 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NOS2 P35228 1/20 0.33
GRIN2B Q13224 1/20 0.32

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
SCHEMBL6266160 0.66 CYP2C9 (0.61) POLBCYP2C19MEN1ALDH1A1KMT2A
SCHEMBL20009505 0.65
SCHEMBL17540511 0.63 POLB (0.55) POLBCYP2C19P2RX7MEN1ALDH1A1
SCHEMBL10724502 0.63 CYP2C9 (0.58) CYP2C19MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL12766996 0.63 HRH1 (0.40) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL10145588 0.62 CPN1 (0.47) F2
SCHEMBL28304921 0.61 ALDH1A1 (0.56) POLBCYP2C19P2RX7MEN1ALDH1A1
SCHEMBL17247787 0.61 P2RX7 (0.45) P2RX7KMT2AL3MBTL1TDP1
SCHEMBL10243308 0.60 KDM4E (0.51) CYP2C19ALDH1A1
SCHEMBL15468517 0.60 KDM4E (0.47) CYP2C19MEN1ALDH1A1KMT2AL3MBTL1

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed