SCHEMBL12501310

SCHEMBL12501310

COC(=O)c1cc2cc(NC(=N)N)ccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAPT P10636 6/20 0.52
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GALR3 O60755 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ PTGS2 P35354 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
SCHEMBL12501421 0.90 L3MBTL1 (0.50) L3MBTL1MAPTTHRBKDM4EALDH1A1
SCHEMBL16175487 0.88 MAPT (0.56) L3MBTL1MAPTTHRBKDM4EHSD17B10
SCHEMBL3061254 0.77 L3MBTL1 (0.70) L3MBTL1MAPTTHRBKDM4EALDH1A1
SCHEMBL7877590 0.76 L3MBTL1 (0.72) L3MBTL1MAPTTHRBKDM4EALDH1A1
SCHEMBL5426590 0.76 L3MBTL1 (1.00) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL18067891 0.76 L3MBTL1 (0.72) L3MBTL1MAPTTHRBKDM4EALDH1A1
SCHEMBL20559065 0.75 L3MBTL1 (0.70) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL1096760 0.75 L3MBTL1 (0.70) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL4919697 0.75 L3MBTL1 (0.70) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL14253162 0.74 L3MBTL1 (0.51) L3MBTL1MAPTTHRBKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 — — EP disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — WO disclosed
Send feedback