SCHEMBL14095000

SCHEMBL14095000

Oc1nc(-c2ccncc2)nc2c1SCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4B Q07343 5/20 0.33
▸ PDE4D Q08499 5/20 0.33
▸ CDC7 O00311 3/20 0.33
▸ DBF4 Q9UBU7 3/20 0.33
▸ LATS1 O95835 1/20 0.32
▸ LATS2 Q9NRM7 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ PDGFRB P09619 1/20 0.30

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
SCHEMBL14095085 0.81 MEN1 (0.38) CYP19A1MAPTPDE4BPDE4DLATS1
SCHEMBL15662341 0.76 CYP19A1 (0.40) CYP19A1MAPTPDE4BPDE4DKDM4E
SCHEMBL16179473 0.70 PDE4B (0.38) CYP19A1MAPTPDE4BCDC7DBF4
SCHEMBL15659115 0.68 PDE4B (0.42) CYP19A1PDE4BPDE4DKDM4EALDH1A1
SCHEMBL27851793 0.68 TNKS2 (0.44) MAPTPDE4BPDE4DKDM4ENPC1
SCHEMBL20012206 0.66 MAPT (0.42) CYP19A1MAPTKDM4ENPC1RAB9A
SCHEMBL980050 0.64 MAPT (0.62) CYP19A1MAPTLATS1LATS2KDM4E
SCHEMBL21074856 0.64 SMN1; SMN2 (0.33) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL590394 0.64 SMN1; SMN2 (0.37) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6543819 0.63 MAPT (0.48) CYP19A1MAPTKDM4ENPC1RAB9A

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-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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