SCHEMBL25048244

SCHEMBL25048244

C=C(C)CCNCCCNC[C@@H]1CC[C@H](n2cc(-c3nc(CC(=C)C)cs3)c3c(N)nc(Cl)nc32)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.33
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ABL2 P42684 1/20 0.30

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
SCHEMBL25047686 0.81 AXL (0.32) —
SCHEMBL25046747 0.78 C1S (0.33) FGFR1FGFR4ABL1EGFRABL2
SCHEMBL25048279 0.76 AXL (0.30) —
SCHEMBL25048273 0.72 ABL1 (0.33) ABL1EGFRABL2
SCHEMBL25049073 0.71 ABL1 (0.41) ABL1EGFRABL2
SCHEMBL25047923 0.71 ABL1 (0.41) FGFR1FGFR4ABL1EGFRABL2
SCHEMBL25049217 0.70 C1S (0.36) CHKAFGFR1FGFR4ABL1EGFR
SCHEMBL25046672 0.69 ABL1 (0.40) FGFR1FGFR4ABL1EGFRABL2
SCHEMBL25048167 0.69 ADCY5 (0.33) ABL1EGFRABL2
SCHEMBL25047634 0.67 ADK (0.39) CHKAFGFR1FGFR4ABL1EGFR

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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