SCHEMBL3946606

SCHEMBL3946606

Cc1cc(-c2nc(N)nc(N)n2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DAO P14920 1/20 0.34

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
SCHEMBL475600 0.73 KDM4E (0.46) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL28300570 0.72 CYP1A1 (0.52) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL4169628 0.72 NPC1 (0.49) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL3232785 0.71 HCAR2 (0.55) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL4984247 0.71 CDK2 (0.53) KDM4EGAANPC1HSD17B10L3MBTL1
SCHEMBL22690047 0.70 PDE10A (0.47) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL30065933 0.69 NPC1 (0.50) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL3663141 0.69 NPC1 (0.50) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL15908507 0.68 NPC1 (0.67) HCAR2KDM4EGAANPC1HSD17B10
SCHEMBL18027880 0.67 L3MBTL1 (0.59) HCAR2KDM4EGAANPC1HSD17B10

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 — — WO disclosed
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