SCHEMBL25047686

SCHEMBL25047686

C=C(C)CCNCCCNC[C@@H]1CC[C@H](n2cc(-c3nc(CC)cs3)c3cnc(Cl)nc32)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 20/20 0.32
▸ TYRO3 Q06418 20/20 0.32
▸ MERTK Q12866 20/20 0.32
▸ FLT3 P36888 16/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MET P08581 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32

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
SCHEMBL25048279 0.89 AXL (0.30) AXLTYRO3MERTKFLT3
SCHEMBL25048244 0.81 CHKA (0.33) —
SCHEMBL25048238 0.80 AXL (0.33) AXLTYRO3MERTKFLT3NUAK1
SCHEMBL25048237 0.80 AXL (0.33) AXLTYRO3MERTKFLT3NUAK1
SCHEMBL25048273 0.78 ABL1 (0.33) —
SCHEMBL25048780 0.74 AXL (0.31) AXLTYRO3MERTKFLT3
SCHEMBL25048167 0.72 ADCY5 (0.33) —
SCHEMBL25048282 0.71 AXL (0.32) AXLTYRO3MERTKFLT3
SCHEMBL25048778 0.70 AXL (0.34) AXLTYRO3MERTKFLT3NUAK1
SCHEMBL25047923 0.68 ABL1 (0.41) TYRO3MERTKFLT3NTRK1MET

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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