SCHEMBL13273136

SCHEMBL13273136

CC1Cc2ccc(-c3cccc(C(=O)N(C)C)n3)cc2CN1c1cc(N2CCN(C)CC2)nc(I)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.36
SCN9A Q15858 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
PIM1 P11309 1/20 0.35
OGA O60502 1/20 0.34
ERN1 O75460 1/20 0.34
MTOR P42345 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
PIK3CB P42338 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL2990065 0.92 HRH4 (0.41) SCN9A
SCHEMBL2536451 0.78 HRH4 (0.39) IRAK4SCN9A
SCHEMBL2546419 0.78 HRH4 (0.40)
SCHEMBL2990072 0.78 PIK3CD (0.40) MTORPIK3CB
SCHEMBL3007366 0.76 HRH4 (0.39)
SCHEMBL13273461 0.76
SCHEMBL3000270 0.76 HRH4 (0.39)
SCHEMBL2996717 0.75 HRH4 (0.40)
SCHEMBL2576032 0.73 WNT1 (0.39)
SCHEMBL13273460 0.72 MELK (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 WO disclosed