SCHEMBL20319009

SCHEMBL20319009

Cc1cnc2c(c1)c(-c1ccc3nccc(-c4cccnc4)c3c1)cn2P

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.53
KDR P35968 3/20 0.41
RET P07949 2/20 0.41
RIPK2 O43353 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP2A6 P11509 1/20 0.40
MAPK10 P53779 1/20 0.39
ELANE P08246 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
CLK4 Q9HAZ1 4/20 0.38
CYP1A2 P05177 4/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 3/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL25588383 0.83 DYRK1A (0.50) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL20319074 0.77 DYRK1A (0.58) PIK3CADYRK1ADYRK1BCDK9NUDT1
SCHEMBL15344926 0.75 ELANE (0.50) KDRCYP2A6ELANECYP3A4CYP2D6
SCHEMBL20292913 0.73 PTPN11 (0.49) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL20318999 0.72 PIK3CA (0.53) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL20292770 0.71 PTPN11 (0.51) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL20319801 0.71 DYRK1A (0.47) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL729449 0.70 PIK3CA (1.00) PIK3CAKDRRETRIPK2MAPK14
SCHEMBL15452489 0.69 CYP2A6 (0.54) PIK3CACYP2A6ELANEPIK3C3CYP1A2
SCHEMBL20292748 0.68 DYRK1B (0.68) PIK3CACLK4DYRK1ADYRK1BMAP4K4

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-2018119039-A1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES FELICITEX THERAPEUTICS, INC. (US) 2018-06-28 WO disclosed