SCHEMBL30366701

SCHEMBL30366701

C=C(F)C(=O)N1CC=C(c2c(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)ncc(C#N)c3n2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.36
TNK2 Q07912 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
SRC P12931 1/20 0.30

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
SCHEMBL28981099 0.92 BTK (0.39) BTKTNK2FFAR4SRC
SCHEMBL30366502 0.81 CYP3A4 (0.42) BTKFFAR4
SCHEMBL30366702 0.81 BTK (0.39) BTKFFAR4
SCHEMBL28981121 0.80 BTK (0.36) BTKTNK2
SCHEMBL30366511 0.79 CYP3A4 (0.39) FFAR4
SCHEMBL28981133 0.79 CYP3A4 (0.39) FFAR4
SCHEMBL30325793 0.78 FGFR1 (0.37) FFAR4SRC
SCHEMBL30366804 0.77 CYP3A4 (0.47) BTKFFAR4
SCHEMBL28981123 0.77 FGFR1 (0.39) BTKFFAR4
SCHEMBL22676918 0.75 BTK (0.47) BTK

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
CN-115894481-A Nitrogen-containing heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed