SCHEMBL25048399

SCHEMBL25048399

Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1C[C@H](CNCCCNCCc2cccc(Oc3ccccc3)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.51
▸ TEK Q02763 6/20 0.51
▸ KDR P35968 5/20 0.51
▸ SRC P12931 5/20 0.51
▸ EGFR P00533 3/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ ABL2 P42684 2/20 0.49
▸ PRKD3 O94806 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PRKCB P05771 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ PRKCH P24723 1/20 0.48
▸ PRKCI P41743 1/20 0.48
▸ PRKCE Q02156 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ PRKCZ Q05513 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ PRKD1 Q15139 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ HCK P08631 6/20 0.46

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
SCHEMBL30940977 1.00 LCK (0.51) LCKTEKKDRSRCEGFR
SCHEMBL25048825 0.91 CA2 (0.52) LCKTEKKDRSRCEGFR
SCHEMBL30941348 0.91 CA2 (0.52) LCKTEKKDRSRCEGFR
SCHEMBL30941227 0.91 METTL3 (0.54) LCKTEKKDRSRCCA2
SCHEMBL25048398 0.91 METTL3 (0.54) LCKTEKKDRSRCCA2
SCHEMBL25048394 0.89 METTL3 (0.47) LCKTEKKDRSRCEGFR
SCHEMBL30940930 0.89 METTL3 (0.49) LCKTEKKDRSRCPRKD3
SCHEMBL25048395 0.89 METTL3 (0.49) LCKTEKKDRSRCPRKD3
SCHEMBL30940736 0.89 METTL3 (0.47) LCKTEKKDRSRCEGFR
SCHEMBL25048823 0.89 METTL3 (0.43) LCKTEKKDRSRCCA2

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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