SCHEMBL25047516

SCHEMBL25047516

C=C/C(=C\C(=C)Oc1ccccc1)CCNCCCNC[C@@H]1CC[C@H](n2cc(-c3ccccc3)c3c(N)ncnc32)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.51
▸ EGFR P00533 6/20 0.51
▸ ABL2 P42684 6/20 0.51
▸ SRC P12931 6/20 0.48
▸ LCK P06239 3/20 0.48
▸ TEK Q02763 3/20 0.48
▸ KDR P35968 2/20 0.48
▸ 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
▸ HCK P08631 8/20 0.47
▸ FLT3 P36888 8/20 0.47

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
SCHEMBL25046658 0.92 ABL1 (0.40) ABL1EGFRABL2SRCLCK
SCHEMBL25048882 0.90 ABL1 (0.39) ABL1EGFRABL2SRCLCK
SCHEMBL25047506 0.90 ABL1 (0.40) ABL1EGFRABL2SRCLCK
SCHEMBL25047951 0.82 ABL1 (0.57) ABL1EGFRABL2SRCLCK
SCHEMBL25047931 0.77 ABL1 (0.41) ABL1EGFRABL2SRCLCK
SCHEMBL25047520 0.76 METTL3 (0.47) ABL1EGFRABL2
SCHEMBL25047965 0.76 ABL1 (0.54) ABL1EGFRABL2SRCLCK
SCHEMBL25048256 0.74 LCK (0.45) ABL1EGFRABL2SRCLCK
SCHEMBL25046672 0.74 ABL1 (0.40) ABL1EGFRABL2SRCLCK
SCHEMBL25047923 0.71 ABL1 (0.41) ABL1EGFRABL2SRCLCK

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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