SCHEMBL8287828

SCHEMBL8287828

Cc1cc(N2CCNCC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.49
NCF1 P14598 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
KDR P35968 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 2/20 0.39
KHK P50053 1/20 0.38
CHEK1 O14757 1/20 0.38
KDM1A O60341 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL8286107 0.91 PDE11A (0.54) PDE11AALDH1A1HPGDHSD17B10POLB
SCHEMBL8287827 0.90 PDE11A (0.51) PDE11ANCF1ALDH1A1HPGDCASP1
SCHEMBL8286110 0.89 PDE11A (0.50) PDE11AALDH1A1HPGDCYP1A2CASP1
SCHEMBL8287829 0.88 PDE11A (0.64) PDE11ANCF1HPGDUSP2CYP1A2
SCHEMBL8287424 0.86 PDE11A (0.48) PDE11AALDH1A1USP2CASP1CASP7
SCHEMBL8286112 0.85 NCF1 (0.50) PDE11ANCF1ALDH1A1HPGDPOLB
SCHEMBL5871598 0.84 PDE11A (0.58) PDE11ANCF1ADRB1KDRALDH1A1
SCHEMBL8287531 0.84 PDE11A (0.44) PDE11ANCF1USP2CYP1A2CYP3A4
SCHEMBL8286097 0.82 PDE11A (0.45) PDE11ANCF1POLBHTR6
SCHEMBL8286111 0.82 PDE11A (0.45) PDE11AALDH1A1HPGDUSP2HSD17B10

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