SCHEMBL25048257

SCHEMBL25048257

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(-c3nc(Oc4ccccc4)cs3)c3c(N)ncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.39
▸ TEK Q02763 6/20 0.39
▸ SRC P12931 5/20 0.39
▸ KDR P35968 4/20 0.39
▸ PRKD3 O94806 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ CA2 P00918 3/20 0.37
▸ HCK P08631 9/20 0.37

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
SCHEMBL25049071 0.89 CA2 (0.38) LCKTEKSRCKDREGFR
SCHEMBL25048256 0.86 LCK (0.45) LCKTEKSRCKDRPRKD3
SCHEMBL25049326 0.84 CA2 (0.43) LCKTEKSRCKDRPRKD3
SCHEMBL30940891 0.84 CA2 (0.43) LCKTEKSRCKDRPRKD3
SCHEMBL25048571 0.84 ADK (0.46) EGFRABL1ABL2CA2IGF1R
SCHEMBL25046701 0.83 METTL3 (0.34) EGFRABL1ABL2CA2IGF1R
SCHEMBL25047939 0.80 METTL3 (0.45) EGFRABL1ABL2CA2FLT3
SCHEMBL25048552 0.80 METTL3 (0.37) EGFRABL1ABL2CA2IGF1R
SCHEMBL25048192 0.78 METTL3 (0.40) CA2
SCHEMBL25049073 0.74 ABL1 (0.41) LCKTEKSRCKDRPRKD3

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
Send feedback