SCHEMBL4462368

SCHEMBL4462368

CSc1ccccc1C1(N)N=C(N)C=CN1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 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
SCHEMBL1172152 0.76 TAAR1 (0.39) HTR5A
SCHEMBL1172224 0.76 BACE1 (0.32) HTR5A
SCHEMBL4456989 0.74 ALDH1A1 (0.36)
SCHEMBL30157203 0.74 JAK2 (0.31) HTR5A
SCHEMBL1172351 0.72 BACE1 (0.38)
SCHEMBL4454878 0.72 GAA (0.40)
SCHEMBL4459737 0.70 BACE1 (0.38)
SCHEMBL1171691 0.69 BACE1 (0.41)
SCHEMBL29974839 0.68 HTT (0.31)
SCHEMBL1171769 0.67 ALDH1A1 (0.41) HTR5A

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed