SCHEMBL4592333

SCHEMBL4592333

c1ccc(CCNc2cnc3[nH]c(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PDE5A O76074 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ MMP2 P08253 5/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40

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
SCHEMBL2988212 0.75 KIT (0.47) L3MBTL1MMP2MMP9MMP8MMP13
SCHEMBL13608162 0.74 AXL (0.51) SMN1; SMN2KDM4EALDH1A1RAB9AMEN1
SCHEMBL9717891 0.73 MMP2 (0.53) L3MBTL1MMP2MMP9MMP8MMP13
SCHEMBL5306883 0.73 MMP2 (0.56) L3MBTL1MMP2MMP9MMP8MMP13
SCHEMBL13608566 0.73 NPC1 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL10206785 0.73 MMP2 (0.34) BRD4HTR7MMP2MMP9MMP8
SCHEMBL986878 0.72 ALDH1A1 (0.54) SMN1; SMN2KDM4EALDH1A1RAB9AMEN1
SCHEMBL13607760 0.72 PTGES (0.51) MMP2MMP9MMP8MAPK13MAPK12
SCHEMBL3320495 0.72 EGFR (0.43) HTR7SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4487422 0.72 MMP2 (0.58) MMP2MMP9MMP8MMP13SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912987-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2008-04-23 — — EP claimed
WO-2007014707-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO claimed
EP-1912987-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2008-04-23 — — EP disclosed
WO-2007014707-A1 HETEROCYCLIC BENZYLAMINO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO disclosed
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