SCHEMBL24900776

SCHEMBL24900776

C=CC(=O)Nc1cccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)n2)c1

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.94
GAK O14976 1/20 0.94
FES P07332 1/20 0.94
FER P16591 1/20 0.94
ERBB3 P21860 1/20 0.94
TEC P42680 1/20 0.94
CLK1 P49759 1/20 0.94
JAK3 P52333 1/20 0.94
PTK2 Q05397 1/20 0.94
BTK Q06187 1/20 0.94
TNK1 Q13470 1/20 0.94
ALK Q9UM73 1/20 0.94
MAPK3 P27361 1/20 0.82

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
SCHEMBL30221331 1.00 EGFR (0.94) EGFRGAKFESFERERBB3
Rociletinib SCHEMBL29350136 0.97 EGFR (1.00) EGFRGAKFESFERERBB3
Rociletinib SCHEMBL4177736 0.97 EGFR (1.00) EGFRGAKFESFERERBB3
Rociletinib SCHEMBL29448192 0.97 EGFR (1.00) EGFRGAKFESFERERBB3
Rociletinib SCHEMBL30101824 0.96 EGFR (0.99) EGFRGAKFESFERERBB3
SCHEMBL4166347 0.94 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL29229023 0.93 ALK (0.81) EGFRGAKFESFERERBB3
SCHEMBL30221516 0.93 ALK (0.81) EGFRGAKFESFERERBB3
SCHEMBL2730294 0.92 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL4165883 0.91 EGFR (1.00) EGFRGAKFESFERERBB3

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
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 CN disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed