SCHEMBL25048864

SCHEMBL25048864

Nc1ncnc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H](C2CCNCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.43
▸ EGFR P00533 7/20 0.43
▸ LCK P06239 3/20 0.42
▸ TEK Q02763 2/20 0.42
▸ CA2 P00918 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ABL1 P00519 6/20 0.41
▸ ABL2 P42684 6/20 0.41
▸ FGR P09769 1/20 0.41
▸ EPHA1 P21709 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ FRK P42685 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ IGF1R P08069 2/20 0.38
▸ ADK P55263 1/20 0.38

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
SCHEMBL30941133 1.00 SRC (0.43) SRCEGFRLCKTEKCA2
SCHEMBL30941062 0.95 SRC (0.45) SRCEGFRLCKTEKCA2
SCHEMBL30941076 0.95 SRC (0.45) SRCEGFRLCKTEKCA2
SCHEMBL30940725 0.95 SRC (0.45) SRCEGFRLCKTEKCA2
SCHEMBL25048101 0.95 SRC (0.45) SRCEGFRLCKTEKCA2
SCHEMBL25048893 0.95 SRC (0.45) SRCEGFRLCKTEKCA2
SCHEMBL25048196 0.91 SRC (0.42) SRCEGFRLCKTEKCA2
SCHEMBL25048543 0.91 SRC (0.42) SRCEGFRLCKTEKCA2
SCHEMBL25048549 0.91 SRC (0.42) SRCEGFRLCKTEKCA2
SCHEMBL30941573 0.91 SRC (0.42) SRCEGFRLCKTEKCA2

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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