SCHEMBL4022880

SCHEMBL4022880

C[As](C)c1ncc(N)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.32
ULK1 O75385 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL19349268 0.75 GAA (0.42) GLAPOLBGAATSHRHPGD
SCHEMBL29455898 0.75 GAA (0.42) GLAPOLBGAATSHRHPGD
SCHEMBL21598733 0.74 GLA (0.38) GLAPOLBGAATSHRHPGD
SCHEMBL30254275 0.74 GLA (0.38) GLAPOLBGAATSHRHPGD
SCHEMBL21031807 0.74 GLA (0.45) GLAPOLBGAATSHRPIK3CD
SCHEMBL29601287 0.74 GLA (0.45) GLAPOLBGAATSHRPIK3CD
SCHEMBL25258979 0.71 GLA (0.42) GLAPOLBGAATSHRHPGD
SCHEMBL909629 0.71 PIK3CD (0.57) GLAPOLBGAATSHRHPGD
SCHEMBL30254041 0.71 PIK3CD (0.57) GLAPOLBGAATSHRHPGD
SCHEMBL19133107 0.71 GLA (0.42) GLAPOLBGAATSHRHPGD

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-2046775-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-04-15 EP disclosed
WO-2008012418-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-01-31 WO disclosed