SCHEMBL25048196

SCHEMBL25048196

Nc1ncnc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H]([C@H]2CCCNC2)[C@@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 12/20 0.42
▸ EGFR P00533 7/20 0.42
▸ LCK P06239 2/20 0.41
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ ABL1 P00519 6/20 0.40
▸ ABL2 P42684 6/20 0.40
▸ IGF1R P08069 2/20 0.38
▸ METTL3 Q86U44 3/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 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
SCHEMBL25048549 1.00 SRC (0.42) SRCEGFRLCKKDRTEK
SCHEMBL30941573 1.00 SRC (0.42) SRCEGFRLCKKDRTEK
SCHEMBL25048543 1.00 SRC (0.42) SRCEGFRLCKKDRTEK
SCHEMBL30941076 0.95 SRC (0.45) SRCEGFRLCKKDRTEK
SCHEMBL30941062 0.95 SRC (0.45) SRCEGFRLCKKDRTEK
SCHEMBL30940725 0.95 SRC (0.45) SRCEGFRLCKKDRTEK
SCHEMBL25048101 0.95 SRC (0.45) SRCEGFRLCKKDRTEK
SCHEMBL25048893 0.95 SRC (0.45) SRCEGFRLCKKDRTEK
SCHEMBL25048864 0.91 SRC (0.43) SRCEGFRLCKKDRTEK
SCHEMBL30941133 0.91 SRC (0.43) SRCEGFRLCKKDRTEK

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