SCHEMBL25047567

SCHEMBL25047567

CN1CCC(C2CCC(n3cc(-c4nc(Cc5ccccc5)cs4)c4c(N)nc(Cl)nc43)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.36
▸ SRC P12931 5/20 0.34
▸ INSR P06213 4/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ EGFR P00533 3/20 0.34
▸ FGFR1 P11362 3/20 0.34
▸ LYN P07948 3/20 0.34
▸ LCK P06239 3/20 0.34
▸ KDR P35968 3/20 0.34
▸ PAK4 O96013 2/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ RET P07949 2/20 0.34
▸ HCK P08631 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ MARK3 P27448 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ CSNK1D P48730 2/20 0.34
▸ BLK P51451 2/20 0.34

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
SCHEMBL25048943 0.92 C1S (0.35) C1SSRCINSRABL1EGFR
SCHEMBL25048047 0.91 C1S (0.33) C1SSRCABL1EGFRLCK
SCHEMBL25048024 0.89 SRC (0.35) C1SSRCABL1EGFRLCK
SCHEMBL25047579 0.89 EGFR (0.36) C1SSRCABL1EGFRFGFR1
SCHEMBL25048021 0.86 SRC (0.46) SRCABL1EGFRABL2
SCHEMBL25048022 0.86 AXL (0.36) FLT3MAP4K4NTRK1KITAXL
SCHEMBL25048632 0.85 KCNH2 (0.34) C1SSRCINSREGFRFGFR1
SCHEMBL25048727 0.85 SRC (0.35) C1SSRCABL1EGFRLCK
SCHEMBL25048499 0.84 C1S (0.34) C1S
SCHEMBL25049217 0.84 C1S (0.36) C1SSRCINSRABL1EGFR

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
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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