SCHEMBL25048067

SCHEMBL25048067

C/C=C(\C)CCN(CCCN(C[C@@H]1CC[C@H](n2cc(-c3nc(Oc4ccccc4)cs3)c3c(N)ncnc32)C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.42
▸ LCK P06239 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ TEK Q02763 2/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 12/20 0.39
▸ FLT3 P36888 10/20 0.39
▸ IGF1R P08069 1/20 0.39

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
SCHEMBL25048166 0.90 SRC (0.40) SRCLCKKDRTEKPRKD3
SCHEMBL25048524 0.86 ADK (0.40) SRCEGFR
SCHEMBL25047974 0.82 SRC (0.37) SRCEGFR
SCHEMBL25047533 0.82 PRMT5 (0.44) —
SCHEMBL25046675 0.82 SRC (0.39) SRCEGFR
SCHEMBL25046738 0.82 SRC (0.31) SRCEGFRIGF1R
SCHEMBL25048534 0.82 SRC (0.37) SRCEGFR
SCHEMBL25046665 0.82 SRC (0.37) SRCEGFR
SCHEMBL25048503 0.81 SRC (0.38) SRCEGFR
SCHEMBL25047522 0.81 SRC (0.38) SRCEGFR

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