SCHEMBL8287946

SCHEMBL8287946

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(N3CCNCC3)ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.43
CDK6 Q00534 5/20 0.43
KDR P35968 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKD1 Q15139 2/20 0.38
PRKD2 Q9BZL6 2/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
HTR6 P50406 1/20 0.37
MAPK8 P45983 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL8287497 0.90 PDE11A (0.46) CDK4CDK6KDRPDE11APOLB
SCHEMBL8286467 0.90 PDE11A (0.44) CDK4PDE11APOLBALDH1A1MAPK8
SCHEMBL8287210 0.89 PDE11A (0.43) KDRPDE11APOLBALDH1A1MAPK8
SCHEMBL8361778 0.88 CDK4 (0.43) CDK4KDRPDE11AALDH1A1CYP1A2
SCHEMBL8287452 0.88 PDE11A (0.55) PDE11AKDM1AALDH1A1MAPK8HIF1A
SCHEMBL8362922 0.85 ALDH1A1 (0.42) PDE11APOLBKMT2AALDH1A1MAPK8
SCHEMBL8287220 0.84 CKS1B (0.41) CDK4PDE11AKMT2AMAPK8ALOX15
SCHEMBL8287223 0.84 PDE11A (0.39) PDE11APOLBKMT2AALDH1A1HTR6
SCHEMBL8285282 0.83 ALDH1A1 (0.42) PDE11APOLBKMT2AALDH1A1HSD17B10
SCHEMBL8287232 0.83 MAPT (0.43) PDE11APOLBALDH1A1USP2

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