SCHEMBL25047518

SCHEMBL25047518

Nc1ncnc2c1c(C1CC1)cn2C1CCC(CNCCCNCCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.44
▸ EGFR P00533 5/20 0.44
▸ ABL2 P42684 5/20 0.44
▸ SRC P12931 9/20 0.42
▸ LCK P06239 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ TEK Q02763 2/20 0.40
▸ 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
▸ IGF1R P08069 2/20 0.40
▸ RIPK2 O43353 2/20 0.40

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
SCHEMBL25048490 0.94 ABL1 (0.43) ABL1EGFRABL2SRCLCK
SCHEMBL25048002 0.91 RET (0.42) ABL1EGFRABL2SRCLCK
SCHEMBL25048005 0.86 ABL1 (0.43) ABL1EGFRABL2SRCLCK
SCHEMBL25047965 0.85 ABL1 (0.54) ABL1EGFRABL2SRCLCK
SCHEMBL30940999 0.84 METTL3 (0.52) METTL3PRMT5
SCHEMBL25046807 0.84 METTL3 (0.52) METTL3PRMT5
SCHEMBL25047988 0.83 EGFR (0.46) ABL1EGFRABL2SRCLCK
SCHEMBL25048162 0.81 METTL3 (0.46) ABL1EGFRABL2SRCLCK
SCHEMBL25048000 0.80 METTL3 (0.44) ABL1EGFRABL2SRCLCK
SCHEMBL25046669 0.79 METTL3 (0.40) ABL1EGFRABL2IGF1RADCY5

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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