SCHEMBL4055433

SCHEMBL4055433

Cc1nn2c(=O)n(Cc3ccccc3)c(CC(C)C)nc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BRAF P15056 1/20 0.38

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
SCHEMBL4048837 0.80 PDE1B (0.42) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4051429 0.80 HPGD (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4050872 0.80 HPGD (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4050365 0.80 HPGD (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4048843 0.80 HPGD (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4048842 0.80 HPGD (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4009041 0.78 ADORA3 (0.41) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4056868 0.75 ADORA3 (0.43) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4002703 0.75 MEN1 (0.42) HPGDALDH1A1ADORA3ADORA1MEN1
SCHEMBL4047666 0.74 KIF11 (0.44) —

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
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP disclosed
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