SCHEMBL15907803

SCHEMBL15907803

COc1ccc2[nH]cc(/C(C#N)=C(\N)c3cccnc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.67
KIF20A O95235 6/20 0.67
CLK1 P49759 7/20 0.56
NR4A2 P43354 2/20 0.46
CPT1A P50416 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CLK4 Q9HAZ1 2/20 0.43
CLK2 P49760 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2728478 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2728482 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2728481 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725493 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725494 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL3434269 0.84 DYRK1A (0.60) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL3434452 0.81 DYRK1A (0.56) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725011 0.80 DYRK1A (1.00) DYRK1AKIF20ACLK1MEN1KMT2A
SCHEMBL2725005 0.80 DYRK1A (1.00) DYRK1AKIF20ACLK1MEN1KMT2A
SCHEMBL2726433 0.80 KIF20A (0.59) DYRK1AKIF20ACLK1MEN1KMT2A

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