SCHEMBL25047995

SCHEMBL25047995

Nc1ncnc2c1c(-c1ncc[nH]1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)C[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.40
▸ ABL1 P00519 3/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL2 P42684 3/20 0.40
▸ LCK P06239 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ METTL3 Q86U44 3/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RBBP5 Q15291 1/20 0.38
▸ DPY30 Q9C005 1/20 0.38
▸ ASH2L Q9UBL3 1/20 0.38
▸ CA2 P00918 1/20 0.36

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
SCHEMBL25049328 0.89 CA2 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL30941071 0.89 CA2 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL25047988 0.88 EGFR (0.46) SRCABL1EGFRABL2LCK
SCHEMBL25049331 0.78 CA2 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL30941665 0.78 CA2 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL30941348 0.77 CA2 (0.52) SRCABL1EGFRABL2LCK
SCHEMBL25048825 0.77 CA2 (0.52) SRCABL1EGFRABL2LCK
SCHEMBL30940958 0.76 METTL3 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL25049329 0.76 METTL3 (0.45) SRCABL1EGFRABL2METTL3
SCHEMBL25046809 0.76 CA2 (0.49) SRCABL1EGFRABL2LCK

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