SCHEMBL28080977

SCHEMBL28080977

C=CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3ccc(C)cc3)n2)c1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.88
EGFR P00533 16/20 0.86
ITK Q08881 6/20 0.86
JAK3 P52333 2/20 0.64

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
SCHEMBL2352426 0.93 BTK (1.00) BTKEGFRITKJAK3
SCHEMBL2230183 0.93 BTK (1.00) BTKEGFRITKJAK3
SCHEMBL13606336 0.92 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL2350876 0.92 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL13165494 0.92 BTK (0.84) BTKEGFRITKJAK3
SCHEMBL18165623 0.90 EGFR (0.82) BTKEGFRITKJAK3
SCHEMBL27831797 0.89 EGFR (0.84) BTKEGFRITKJAK3
SCHEMBL12518710 0.89 BTK (0.84) BTKEGFRITKJAK3
SCHEMBL12518706 0.88 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL13606253 0.88 BTK (0.82) BTKEGFRITKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047142-A Heteroaryl compound and its purposes 阿维拉制药公司 2018-05-18 CN disclosed
CN-106146407-A Heteroaryl compound and its purposes 阿维拉制药公司 2016-11-23 CN disclosed
CN-102740847-B Heteroaryl compounds and uses thereof 阿维拉制药公司 2016-06-29 CN disclosed
CN-102740847-A Heteroaryl compounds and uses thereof AVILA THERAPEUTICS INC 2012-10-17 CN disclosed
CN-102083800-A Heteroaryl compounds and uses thereof AVILA THERAPEUTICS AND USES TH 2011-06-01 CN disclosed