SCHEMBL7105906

SCHEMBL7105906

C=CC(=O)Nc1cccc(-c2c[nH]c3ncccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 1.00
PLCG1 P19174 10/20 0.74
EGFR P00533 1/20 0.68
BTK Q06187 5/20 0.64
BMX P51813 1/20 0.63
ITK Q08881 3/20 0.60
CDC7 O00311 1/20 0.58

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
SCHEMBL17939428 0.85 PLCG1 (1.00) JAK3PLCG1BTKITK
SCHEMBL16151220 0.84 BTK (0.74) JAK3PLCG1BTKBMXITK
SCHEMBL7974378 0.84 JAK3 (0.73) JAK3PLCG1CDC7
SCHEMBL17939331 0.81 PLCG1 (1.00) JAK3PLCG1BTKITK
SCHEMBL17938946 0.81 PLCG1 (0.85) JAK3PLCG1BTKITK
SCHEMBL17938938 0.80 PLCG1 (0.80) JAK3PLCG1BTKITK
SCHEMBL17938855 0.80 PLCG1 (0.76) JAK3PLCG1BTKITK
SCHEMBL17939632 0.80 PLCG1 (0.77) JAK3PLCG1BTKITK
SCHEMBL17938947 0.79 PLCG1 (0.82) JAK3PLCG1BTKITK
SCHEMBL16176905 0.79 PLCG1 (0.75) JAK3PLCG1EGFRBTKITK

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-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP disclosed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed