SCHEMBL4046285

SCHEMBL4046285

CCCC(C)c1nc2nccnc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
PARP1 P09874 1/20 0.30
GRM4 Q14833 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
SCHEMBL4047234 0.90 GPR84 (0.43) GPR84METAP2METAP1
SCHEMBL4048043 0.86 METAP2 (0.37) METAP2METAP1
SCHEMBL4043723 0.78 METAP2 (0.41) METAP2METAP1KDM4E
SCHEMBL4047016 0.78 METAP2 (0.33) METAP2METAP1
SCHEMBL13905132 0.78 METAP2 (0.33) METAP2METAP1
SCHEMBL4054698 0.77 ADORA3 (0.40) METAP2METAP1KDM4ESMN1; SMN2
SCHEMBL4048550 0.76 ADORA3 (0.33) METAP2METAP1KDM4ESMN1; SMN2
SCHEMBL8057661 0.76 TLR8 (0.42) GPR84KDM4ESMN1; SMN2UTS2RGRM4
SCHEMBL4048086 0.75 METAP2 (0.39) METAP2METAP1
SCHEMBL22962220 0.75 AURKA (0.42) GPR84UTS2RPARP1

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