SCHEMBL5138865

SCHEMBL5138865

COc1cc(C(OC)c2ccnc3[nH]ccc23)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
HPGD P15428 4/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 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
SCHEMBL414857 0.86 LMNA (0.46) LMNAKMT2AMEN1POLBGAA
SCHEMBL411407 0.78 TP53 (0.46) LMNAKMT2AMEN1POLBGAA
SCHEMBL5322848 0.77 LMNA (0.52) LMNAKMT2AMEN1MRGPRX1F2
SCHEMBL2999856 0.75 AURKB (0.51) POLBL3MBTL1ALDH1A1ELANE
SCHEMBL7373083 0.72 KMT2A (0.49) LMNAKMT2AMEN1POLBGAA
SCHEMBL12929295 0.71 NPC1 (0.52) LMNAKMT2AMEN1POLBGAA
SCHEMBL12738664 0.70 NPC1 (0.55) KMT2AMEN1POLBGAAHPGD
SCHEMBL19734616 0.69 NPC1 (0.57) KMT2AMEN1POLBGAAHPGD
SCHEMBL14167832 0.69 MEN1 (0.54) KMT2AMEN1POLBGAAHPGD
SCHEMBL14168120 0.69 NPC1 (0.57) KMT2AMEN1POLBGAAHPGD

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-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed