SCHEMBL4069377

SCHEMBL4069377

CC1CCCCC1Nc1ccc(N)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TAS1R3 Q7RTX0 9/20 0.40
TAS1R2 Q8TE23 9/20 0.40
TAS1R1 Q7RTX1 8/20 0.40
S1PR1 P21453 1/20 0.40
HCAR3 P49019 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MLYCD O95822 1/20 0.37
POLB P06746 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
SCHEMBL2792092 0.78 HCAR3 (0.58) HCAR3ALDH1A1
SCHEMBL2793790 0.77 HCAR3 (0.57) HCAR3ALDH1A1
SCHEMBL30267549 0.75 HCAR3 (0.58) HCAR3ALDH1A1
SCHEMBL2792596 0.74 HCAR3 (0.56) HCAR3
SCHEMBL29581144 0.74 HCAR3 (0.56) HCAR3
SCHEMBL2791388 0.74 PDGFRB (0.46) JAK3JAK2JAK1
SCHEMBL15986824 0.70 HRH4 (0.46) JAK3JAK2JAK1HCAR3POLB
SCHEMBL3056248 0.69 NPC1 (0.55) ALDH1A1
SCHEMBL4063294 0.69 MEN1 (0.53) JAK3TAS1R3TAS1R2TAS1R1S1PR1
SCHEMBL2790757 0.68 FYN (0.55) HCAR3

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