SCHEMBL6205743

SCHEMBL6205743

CCCCCNc1nc(C)c(-c2c(OC)cc(C(=O)NC)cc2OC)nc1OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.41
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL6203930 0.90 TLR7 (0.44) TLR7HDAC3HDAC2
SCHEMBL6204471 0.89 TLR7 (0.42) TLR7HDAC3HDAC2
SCHEMBL6203376 0.87 TLR7 (0.39) TLR7HDAC3HDAC2
SCHEMBL6203648 0.85 TLR7 (0.40) TLR7
SCHEMBL6200464 0.84 TLR7 (0.42) TLR7ALDH1A1
SCHEMBL7476643 0.84 CRHR1 (0.44) TLR7ALDH1A1
SCHEMBL5440935 0.82 CRHR1 (0.53) ALDH1A1HPGD
SCHEMBL6202548 0.81 TLR7 (0.38) TLR7ALDH1A1HPGD
SCHEMBL7478618 0.81 CRHR1 (0.42) TLR7ALDH1A1
SCHEMBL6201435 0.81 CRHR1 (0.41) TLR7ALDH1A1

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-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed