SCHEMBL9925005

SCHEMBL9925005

COc1ccc(Cn2nc(C#N)c3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 5/20 0.48
THRB P10828 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PDE8B O95263 1/20 0.42
ELANE P08246 6/20 0.42
LMNA P02545 3/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL20140381 0.86 ELANE (0.56) L3MBTL1PTGDR2ELANEGAAKMT2A
SCHEMBL20140783 0.84 L3MBTL1 (0.63) L3MBTL1CNR1CNR2PTGDR2ELANE
SCHEMBL20140374 0.84 L3MBTL1 (0.49) L3MBTL1MAPTPTGDR2ELANEKDM4E
SCHEMBL10126766 0.81 PTGDR2 (0.48) L3MBTL1MAPTTHRBCNR1CNR2
SCHEMBL14842958 0.81 CNR2 (0.62) L3MBTL1CNR1CNR2PDE8BLMNA
SCHEMBL31512385 0.81 CNR2 (0.62) L3MBTL1CNR1CNR2PDE8BLMNA
SCHEMBL4666470 0.81 MAPT (0.54) L3MBTL1MAPTTHRBCNR1CNR2
SCHEMBL19798298 0.81 L3MBTL1 (0.52) L3MBTL1MAPTTHRBCNR1CNR2
SCHEMBL13733152 0.80 PDE5A (0.53) MAPTCNR1CNR2PDE8BLMNA
SCHEMBL28098667 0.80 L3MBTL1 (0.51) L3MBTL1MAPTTHRBCNR1CNR2

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-2012075678-A1 SUBSTITUTED THIAZOLYL PYRAZOLO PYRIDINE COMPOUND AND MEDICINAL USE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2012-06-14 WO disclosed