SCHEMBL4064502

SCHEMBL4064502

Cc1cc(Cl)ccc1Nc1ccc(N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PRKDC P78527 1/20 0.44
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.40
SCN9A Q15858 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
DHFR P00374 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TNIK Q9UKE5 2/20 0.39
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4070837 0.84 HPGD (0.52) RAB9ASMN1; SMN2HPGDALDH1A1PIK3CA
SCHEMBL4068824 0.78 MAPK10 (0.50) RAB9ASMN1; SMN2PIK3CANPC1MEN1
SCHEMBL16983099 0.74 RAB9A (0.51) RAB9ASMN1; SMN2HPGDALDH1A1PIK3CA
Hydrochloric Acid SCHEMBL10587715 0.73 POLB (0.35) RAB9ASMN1; SMN2HPGDNPC1KDM4E
SCHEMBL30202244 0.72 FTO (0.46) RAB9ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL20796132 0.72 FTO (0.46) RAB9ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL4064840 0.71 PIK3CA (0.39) RAB9ASMN1; SMN2HPGDALDH1A1PIK3CA
SCHEMBL4058602 0.71 MEN1 (0.51) RAB9ASMN1; SMN2HPGDNPC1KDM4E
SCHEMBL4064010 0.71 TYK2 (0.45) RAB9ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL4059298 0.70 TYK2 (0.50) RAB9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed