SCHEMBL20928145

SCHEMBL20928145

COC(=O)N1CCN(c2ccnc3[nH]c(-c4cnn(C)c4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 15/20 0.51
▸ AURKA O14965 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ INCENP Q9NQS7 2/20 0.45
▸ TPX2 Q9ULW0 2/20 0.45
▸ CLK2 P49760 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ RET P07949 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
SCHEMBL22568711 0.91 IDE (0.52) KITAURKAAURKBINCENPTPX2
SCHEMBL20920004 0.91 KIT (0.60) KITRET
SCHEMBL22568642 0.91 KIT (0.51) KITAURKAAURKBINCENPTPX2
SCHEMBL20928384 0.90 KIT (0.50) KITAURKAAURKBINCENPTPX2
SCHEMBL22568780 0.89 KIT (0.47) KITAURKAAURKBINCENPTPX2
SCHEMBL20928313 0.89 KIT (0.49) KITAURKAAURKBINCENPTPX2
SCHEMBL20927825 0.88 KIT (0.46) KITAURKAAURKBINCENPTPX2
SCHEMBL20928153 0.88 KIT (0.46) KITAURKAAURKBINCENPTPX2
SCHEMBL20927816 0.88 KIT (0.46) KITAURKAAURKBINCENPTPX2
SCHEMBL20928412 0.88 KIT (0.51) KITAURKAAURKBINCENPTPX2

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-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 — — WO disclosed
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