SCHEMBL5189308

SCHEMBL5189308

C=CCOC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP13 P45452 3/20 0.48
COMT P21964 1/20 0.48
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HPSE Q9Y251 2/20 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
SCHEMBL19739343 0.92 HPSE (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL30045370 0.89 MAPT (0.48) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL30045333 0.86 TP53 (0.47) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL5189432 0.85 DGAT1 (0.59) MMP2MMP9MMP8MMP13COMT
SCHEMBL2980576 0.84 BTK (0.42) MMP2MMP9MMP8MMP13COMT
SCHEMBL5189138 0.83 SMN1; SMN2 (0.53) MMP2MMP9MMP8MMP13COMT
SCHEMBL5207426 0.83 KDM4E (0.53) MMP2MMP9MMP8MMP13COMT
SCHEMBL19739073 0.80 MAPT (0.40) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL5188247 0.80 HPSE (0.58) MMP2MMP9MMP8MMP13COMT
SCHEMBL3109194 0.80 TUBB4A (0.47) MMP2MMP9MMP8MMP13KDM4E

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
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed