SCHEMBL2145080

SCHEMBL2145080

CC(=O)Nc1nc2c(s1)-c1c(c(OC(=O)O)nn1-c1ccccc1Cl)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 1/20 0.35
DYRK1A Q13627 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CG P48736 2/20 0.34
WNT3A P56704 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2143719 0.94 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL5036594 0.88 PIK3CG (0.41) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL2145077 0.88 POLB (0.38) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL2143767 0.87 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL4514385 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL2143898 0.86 WNT3A (0.43) ALDH1A1MAPTADORA1DYRK1AHPGD
SCHEMBL11942161 0.85 ADORA1 (0.37) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL2143808 0.84 NR1I2 (0.38) ALDH1A1MAPTADORA1DYRK1API4KA
SCHEMBL11942160 0.83 PI4KA (0.36) ALDH1A1MAPTMEN1KMT2AADORA1
SCHEMBL3947866 0.83 CNR1 (0.42) ALDH1A1MAPTADORA1DYRK1AHPGD

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-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed