SCHEMBL28693886

SCHEMBL28693886

Cn1c(C2CCN(C(=O)O)C2)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 8/20 0.47
▸ KDR P35968 7/20 0.47
▸ TEK Q02763 7/20 0.47
▸ BTK Q06187 13/20 0.45
▸ EGFR P00533 2/20 0.43
▸ ITK Q08881 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ BLK P51451 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ TEC P42680 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ BMX P51813 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43

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
SCHEMBL22659060 0.90 BTK (0.53) LCKKDRBTKEGFRITK
SCHEMBL22676199 0.90 BTK (0.53) LCKKDRBTKEGFRITK
SCHEMBL22673416 0.90 BTK (0.53) LCKKDRBTKEGFRITK
SCHEMBL22659216 0.90 SRC (0.53) LCKKDRTEKBTKEGFR
SCHEMBL22676631 0.87 BTK (0.53) LCKKDRBTKEGFRITK
SCHEMBL22676069 0.82 BTK (0.54) LCKKDRBTKEGFRITK
SCHEMBL30303790 0.82 BTK (0.54) LCKKDRBTKEGFRITK
SCHEMBL22676705 0.82 BTK (0.47) LCKKDRTEKBTKFLT3
SCHEMBL22676702 0.82 BTK (0.47) LCKKDRTEKBTKFLT3
SCHEMBL30303364 0.82 BTK (0.47) LCKKDRTEKBTKFLT3

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-114126620-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2022-03-01 — — CN disclosed
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