SCHEMBL8286343

SCHEMBL8286343

Cc1ccc2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
MAT2A P31153 1/20 0.41
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ABCB1 P08183 3/20 0.35
HKDC1 Q2TB90 1/20 0.34
PDE11A Q9HCR9 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
SCHEMBL5872091 0.85 MAT2A (0.54) ADORA1ADORA2AMAT2ASMN1; SMN2TSHR
SCHEMBL8287872 0.83 MAT2A (0.47) ADORA1MAT2APOLBMAPTSMN1; SMN2
SCHEMBL8286340 0.82 GAA (0.50) ADORA1MAT2AMAPTSMN1; SMN2HTT
SCHEMBL8287837 0.81 MAT2A (0.54) ADORA1MAT2APOLBMAPTSMN1; SMN2
SCHEMBL8285115 0.80 BPTF (0.36) ADORA1ADORA2APOLBMAPTSMN1; SMN2
SCHEMBL8287867 0.79 MAT2A (0.50) ADORA1ADORA2AMAT2APOLBMAPT
SCHEMBL8287894 0.78 MAT2A (0.49) ADORA1ADORA2AMAT2APOLBMAPT
SCHEMBL8287369 0.78 MAT2A (0.52) MAT2APOLBMAPTSMN1; SMN2TSHR
SCHEMBL8287862 0.77 PDE11A (0.42) MAT2AMAPTSMN1; SMN2TSHRHTT
SCHEMBL8287165 0.76 HPGD (0.39) ADORA1ADORA2ARXFP1PDE11A

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed