SCHEMBL4049191

SCHEMBL4049191

COc1ccccc1Nc1nc(-c2ccccc2O)nc(C(N)=O)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
MAPT P10636 6/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HSD17B10 Q99714 1/20 0.48
IKBKB O14920 1/20 0.44
MAPK8 P45983 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RY2 P41231 2/20 0.41
P2RY4 P51582 2/20 0.41
HCRTR1 O43613 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1748994 0.76 HSD17B10 (0.48) HSD17B10MAPK8CAMKK2ABCG2JAK2
SCHEMBL27978206 0.75 MAPT (0.65) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4049186 0.73 MEN1 (0.52) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4228405 0.71 HSD17B10 (0.45) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4230926 0.71 CSNK1D (0.46) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL300887 0.69 LMNA (0.51) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL29557517 0.69 HSD17B10 (0.52) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4467732 0.68 MAPK1 (0.56) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL4363788 0.67 KMT2A (0.50) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL13299337 0.65 KMT2A (0.49) MEN1KMT2AMAPTNPSR1LMNA

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
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed