SCHEMBL4681881

SCHEMBL4681881

COc1ccc(Cn2ncc(C)c(C(=O)O)c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.57
▸ MCHR1 Q99705 1/20 0.56
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ PDE1A P54750 2/20 0.46
▸ PDE1B Q01064 2/20 0.46
▸ PDE1C Q14123 2/20 0.46
▸ UCHL1 P09936 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ ERCC5 P28715 1/20 0.46

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
SCHEMBL24640501 0.90 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL16252260 0.83 UCHL1 (0.54) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL25723425 0.82 NPBWR1 (0.64) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL4679664 0.80 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL25756148 0.80 NPBWR1 (0.61) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29731534 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29731573 0.80 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL29102671 0.80 NPBWR1 (0.68) NPBWR1MCHR1PKM
SCHEMBL25756143 0.79 NPBWR1 (0.63) NPBWR1MCHR1PKMPKLRPDE1A
SCHEMBL4680318 0.77 NPBWR1 (0.57) NPBWR1MCHR1PKMPKLRPDE1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 — — EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 — — US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 — — US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 — — EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 — — US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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