SCHEMBL4459720

SCHEMBL4459720

CC(C)c1cc(C2(N)C=C(N)N=C(N)N2)n[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL4472550 0.77 HCAR2 (0.33) HCAR2HCAR3
SCHEMBL4464333 0.71 IGF1R (0.40)
SCHEMBL4459601 0.66 HCAR2 (0.34) HCAR2HCAR3
SCHEMBL4473250 0.63 HCAR2 (0.33) HCAR2HCAR3
SCHEMBL1269500 0.63
Hydrochloric Acid SCHEMBL21929877 0.61 HCAR2 (0.47) HCAR2HCAR3
SCHEMBL4460989 0.61 FGFR2 (0.34)
SCHEMBL786337 0.57 HCAR2 (0.50) HCAR2HCAR3
SCHEMBL19400917 0.55
SCHEMBL20681842 0.55

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