SCHEMBL7334668

SCHEMBL7334668

O=C(c1ccccc1)N1CCc2nc(Nc3nc(-c4ccc(F)cc4)cs3)ncc2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 10/20 0.56
▸ KDR P35968 8/20 0.53
▸ HSP90AB1 P08238 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPY5R Q15761 1/20 0.45
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL9955095 0.77 KDR (0.84) PDGFRBKDRHSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL3536379 0.73 KDR (0.64) PDGFRBKDRHSP90AB1ALDH1A1HTT
SCHEMBL21326025 0.73 HSP90AB1 (0.68) HSP90AB1
SCHEMBL29586646 0.73 HSP90AB1 (0.68) HSP90AB1
SCHEMBL17620622 0.72 PDGFRB (1.00) PDGFRBKDRMAPT
SCHEMBL9955257 0.72 PDGFRB (0.71) PDGFRBKDRHSP90AB1
SCHEMBL3531326 0.71 PDGFRB (0.60) PDGFRBKDR
SCHEMBL17635120 0.70 PDGFRB (1.00) PDGFRBKDR
SCHEMBL17635122 0.70 KDR (1.00) PDGFRBKDRHSP90AB1
SCHEMBL21326011 0.69 PDGFRB (0.58) PDGFRBHSP90AB1

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
US-5405848-A Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1995-04-11 — — US claimed
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