SCHEMBL4070837

SCHEMBL4070837

Cc1ccc(Nc2ccc(N)cn2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
RAPGEF4 Q8WZA2 1/20 0.47
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK10 P53779 1/20 0.44
TDO2 P48775 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
TNIK Q9UKE5 2/20 0.40
MAPT P10636 1/20 0.40
SYK P43405 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4064502 0.84 RAB9A (0.44) HPGDALDH1A1NPC1RAB9APIK3CA
SCHEMBL4068824 0.80 MAPK10 (0.50) LMNAMAPK10NPC1RAB9AHTT
SCHEMBL21386588 0.77 HPGD (0.49) HPGDRAPGEF4LMNAALDH1A1MAPK10
Hydrochloric Acid SCHEMBL10587715 0.75 POLB (0.35) HPGDNPC1RAB9ATNIKMAPT
SCHEMBL20796132 0.74 FTO (0.46) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL30202244 0.74 FTO (0.46) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL7974346 0.74 RAPGEF4 (0.55) HPGDRAPGEF4LMNAALDH1A1NPC1
SCHEMBL21514810 0.73 RAPGEF4 (0.52) HPGDRAPGEF4LMNAALDH1A1NPC1
SCHEMBL17666302 0.72 RAB9A (0.65) HPGDRAPGEF4ALDH1A1MAPK10TDO2
SCHEMBL30320262 0.72 RAPGEF4 (0.74) RAPGEF4LMNAALDH1A1NPC1RAB9A

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 5 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