SCHEMBL4674510

SCHEMBL4674510

CCn1nc(-c2ccncc2)c(C(C)=O)c(Nc2cccc(C(=O)O)c2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.69
KDM4E B2RXH2 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.42
BUB1 O43683 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
RAB9A P51151 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
SYK P43405 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 1/20 0.37
RHOA P61586 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
SCHEMBL4706435 0.93 PDE4B (0.79) PDE4BL3MBTL1AKR1C4AKR1C3AKR1C2
SCHEMBL3032987 0.91 PDE4B (0.60) PDE4BKDM4EBUB1RAB9ASYK
SCHEMBL3022332 0.89 PDE4B (0.57) PDE4BKDM4ERAB9ASMN1; SMN2
SCHEMBL1652226 0.88 PDE4B (0.84) PDE4BKDM4EABCG2L3MBTL1SMN1; SMN2
SCHEMBL4710128 0.88 PDE4B (0.74) PDE4BKDM4ERAB9ASMN1; SMN2
SCHEMBL3033443 0.87 PDE4B (0.59) PDE4BBUB1RAB9ASMN1; SMN2
SCHEMBL1653670 0.87 PDE4B (0.59) PDE4BBUB1SMN1; SMN2
SCHEMBL3033339 0.86 PDE4B (0.66) PDE4BL3MBTL1SYK
SCHEMBL1652526 0.86 PDE4B (0.57) PDE4BKDM4EABCG2BUB1RAB9A
SCHEMBL6167638 0.86 PDE4B (0.68) PDE4BL3MBTL1AKR1C4AKR1C3AKR1C2

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
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed