SCHEMBL4047518

SCHEMBL4047518

CCC(C)CCc1nc2nccnc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
AAK1 Q2M2I8 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL4044137 0.84 PDE9A (0.38) METAP2METAP1
SCHEMBL4052252 0.80 KDM4C (0.41) METAP2METAP1PI4KAPI4K2BPI4K2A
SCHEMBL4053122 0.79 GPR84 (0.47) METAP2METAP1AAK1PI4KAPI4K2B
SCHEMBL4051241 0.77 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4046994 0.76 ADORA1 (0.42) METAP2METAP1
SCHEMBL4052403 0.76 METAP2 (0.36) METAP2METAP1
SCHEMBL4046923 0.76 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4053441 0.75 ADORA3 (0.40) METAP2METAP1
SCHEMBL4048043 0.70 METAP2 (0.37) METAP2METAP1
SCHEMBL4047123 0.69 METAP2 (0.36) METAP2METAP1

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-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed