SCHEMBL15904682

SCHEMBL15904682

COc1cccc(/C=C(\C#N)c2c[nH]c3ccccc23)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 10/20 0.82
NPC1 O15118 2/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
DYRK1A Q13627 6/20 0.62
CLK1 P49759 5/20 0.62
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PIP4K2A P48426 1/20 0.50
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48

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
SCHEMBL15904684 1.00 KIF20A (0.82) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL2724567 0.90 KIF20A (1.00) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL2724561 0.90 KIF20A (1.00) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL19193662 0.87 KIF20A (0.89) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL19192415 0.85 KIF20A (0.75) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL8831354 0.83 MEN1 (0.72) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL8831355 0.83 MEN1 (0.72) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL14964098 0.83 KIF20A (0.81) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL2725696 0.82 KIF20A (0.69) KIF20ANPC1MEN1KMT2ADYRK1A
SCHEMBL2727191 0.82 KIF20A (0.69) KIF20ANPC1MEN1KMT2ADYRK1A

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
WO-2014115071-A1 KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-31 WO disclosed
WO-2014115071-A1 KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-31 WO disclosed