SCHEMBL27797111

SCHEMBL27797111

COc1cn(CCN)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.41
▸ KDR P35968 4/20 0.33
▸ TEK Q02763 3/20 0.33
▸ EPHB4 P54760 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LOX P28300 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ SMPD1 P17405 4/20 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
SCHEMBL20806026 0.78 — —
SCHEMBL16861721 0.74 PSEN1 (0.39) KDRTEKMEN1KMT2A
SCHEMBL595044 0.74 — —
SCHEMBL10197580 0.72 LTA4H (0.33) LTA4HDPP4SMPD1
SCHEMBL16002534 0.71 CYP19A1 (0.38) DPP4SMPD1
SCHEMBL15775618 0.70 MGAM (0.45) DPP4MEN1KMT2A
SCHEMBL3105704 0.70 — —
SCHEMBL10051597 0.69 — —
Hydrochloric Acid SCHEMBL15775617 0.69 MGAM (0.44) DPP4MEN1KMT2A
SCHEMBL18367622 0.69 DPP4 (0.52) LTA4HKDRTEKEPHB4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 — — CN disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 — — CN disclosed
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