SCHEMBL25049219

SCHEMBL25049219

NC[C@H]1C[C@@H](n2cc(-c3nc(Cc4ccccc4)cs3)c3c(N)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.36
▸ LCK P06239 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ TEK Q02763 1/20 0.36
▸ ABL1 P00519 4/20 0.36
▸ EGFR P00533 3/20 0.36
▸ ABL2 P42684 3/20 0.36
▸ C1S P09871 1/20 0.35
▸ FGFR1 P11362 2/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ IGF1R P08069 5/20 0.32
▸ INSR P06213 4/20 0.32
▸ LYN P07948 2/20 0.32
▸ RET P07949 2/20 0.32
▸ BMPR1B O00238 1/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ LATS1 O95835 1/20 0.32
▸ YES1 P07947 1/20 0.32
▸ HCK P08631 1/20 0.32

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
Hydrochloric Acid SCHEMBL30940936 0.86 CA2 (0.39) C1SCA2METTL3
SCHEMBL25049217 0.84 C1S (0.36) SRCLCKKDRTEKABL1
SCHEMBL25049204 0.80 METTL3 (0.39) SRCLCKKDRTEKABL1
SCHEMBL25048024 0.78 SRC (0.35) SRCLCKKDRTEKABL1
SCHEMBL25047567 0.78 C1S (0.36) SRCLCKKDRTEKABL1
SCHEMBL25048891 0.78 IGF1R (0.36) SRCLCKKDRTEKEGFR
SCHEMBL25049346 0.78 KCNH2 (0.36) SRCLCKKDRTEKABL1
SCHEMBL25048047 0.77 C1S (0.33) SRCLCKABL1EGFRABL2
SCHEMBL25048943 0.77 C1S (0.35) SRCLCKKDRABL1EGFR
SCHEMBL25048727 0.76 SRC (0.35) SRCLCKABL1EGFRABL2

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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