SCHEMBL3813985

SCHEMBL3813985

COC(=O)c1nn2cc(Cl)ccc2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3813984 0.92 EGFR (0.41) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL3810513 0.83 ELANE (0.46) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4175500 0.77 ELANE (0.48) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL22147873 0.74 ALDH1A1 (0.42) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL3810507 0.74 ELANE (0.45) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL30977391 0.72 EPHB3 (0.56) KMT2AALDH1A1MAPTF2PLAU
SCHEMBL23389792 0.70 TGFBR1 (0.39) KMT2A
SCHEMBL29796646 0.70 TGFBR1 (0.39) KMT2A
SCHEMBL3694473 0.70 ALDH1A1 (0.46) KMT2AALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL24369876 0.68 EPHB3 (0.58) ALDH1A1KDM4ESMN1; SMN2

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-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed