SCHEMBL27025879

SCHEMBL27025879

Cn1cc(-c2ccc(C(=O)N3CCCC3)cc2)c2c(N)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ EIF2AK3 Q9NZJ5 11/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ KDR P35968 3/20 0.47
▸ LCK P06239 1/20 0.47
▸ TEK Q02763 1/20 0.47
▸ METTL3 Q86U44 1/20 0.46
▸ RET P07949 1/20 0.46
▸ KIF5B P33176 1/20 0.46
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ SRC P12931 1/20 0.45

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
SCHEMBL29407781 0.80 SRC (0.55) METAXLEIF2AK3FLT3KDR
SCHEMBL22677981 0.80 SRC (0.55) METAXLEIF2AK3FLT3KDR
SCHEMBL25129546 0.79 BTK (0.44) BTKKDRLCKTEKMETTL3
SCHEMBL29407696 0.78 BTK (0.43) BTKKDRLCKTEKMETTL3
SCHEMBL25129489 0.78 BTK (0.43) BTKKDRLCKTEKMETTL3
SCHEMBL22418477 0.78 TEK (0.52) METAXLEIF2AK3FLT3KDR
SCHEMBL23917434 0.78 SRC (0.61) METAXLFLT3KDRLCK
SCHEMBL31264760 0.77 EIF2AK3 (0.50) METAXLEIF2AK3
SCHEMBL31264739 0.76 EIF2AK3 (0.49) METAXLEIF2AK3
SCHEMBL22658912 0.75 METTL3 (0.42) BTKKDRLCKTEKMETTL3

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
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
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