SCHEMBL25049326

SCHEMBL25049326

Nc1ncnc2c1c(-c1nc(Oc3ccccc3)cs1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ LCK P06239 4/20 0.42
▸ SRC P12931 4/20 0.42
▸ KDR P35968 4/20 0.42
▸ TEK Q02763 4/20 0.42
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ METTL3 Q86U44 7/20 0.39
▸ HCK P08631 4/20 0.39
▸ FLT3 P36888 4/20 0.39
▸ EGFR P00533 2/20 0.38

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
SCHEMBL30940891 1.00 CA2 (0.43) CA2LCKSRCKDRTEK
SCHEMBL25048519 0.89 CA2 (0.44) CA2SRCMETTL3PRMT5
SCHEMBL30941450 0.89 CA2 (0.44) CA2SRCMETTL3PRMT5
SCHEMBL25048557 0.88 PRMT5 (0.38) CA2METTL3FLT3PRMT5
SCHEMBL30940961 0.86 ADK (0.47) CA2SRCMETTL3EGFRABL1
SCHEMBL25049332 0.86 ADK (0.47) CA2SRCMETTL3EGFRABL1
SCHEMBL30941278 0.85 CA2 (0.45) CA2SRCMETTL3EGFRABL1
SCHEMBL25047827 0.85 CA2 (0.45) CA2SRCMETTL3EGFRABL1
SCHEMBL25048825 0.85 CA2 (0.52) CA2LCKSRCKDRTEK
SCHEMBL30941348 0.85 CA2 (0.52) CA2LCKSRCKDRTEK

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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