SCHEMBL3799303

SCHEMBL3799303

Nc1nc(Cl)c2c(n1)CCN2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CDC7 O00311 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
SCHEMBL10271926 0.79 KDR (0.35) PDE4BKDRMAPTL3MBTL1
SCHEMBL3799229 0.68 KDR (0.41) KDRDPP4
SCHEMBL22411485 0.68 KDM4E (0.38) KDRMAPTL3MBTL1
SCHEMBL10064935 0.67 TYMS (0.41) —
SCHEMBL18661712 0.65 DPP4 (0.32) DPP4
SCHEMBL1061823 0.64 KDR (0.41) KDRMAPTMEN1KMT2AL3MBTL1
SCHEMBL5133297 0.63 PDE4B (0.49) PDE4BKDRCDC7
SCHEMBL1617798 0.63 KDM4E (0.59) MAPTMEN1KMT2AL3MBTL1
SCHEMBL2922186 0.63 KDM4E (0.53) MAPTMEN1KMT2AL3MBTL1
SCHEMBL16916437 0.62 KDM4E (0.32) MAPTMEN1KMT2A

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-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 — — WO disclosed
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