SCHEMBL25047581

SCHEMBL25047581

Clc1ncc2c(-c3nc(Cc4ccccc4)cs3)cn(C3CCC(C4CCCNC4)C3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 3/20 0.32
▸ AXL P30530 2/20 0.31
▸ TYRO3 Q06418 2/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ HTR6 P50406 4/20 0.31
▸ EGFR P00533 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ C1S P09871 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
SCHEMBL25046690 0.90 ALK (0.34) MERTKAXLTYRO3FLT3EGFR
SCHEMBL25048727 0.87 SRC (0.35) EGFRSRCC1S
SCHEMBL25048916 0.85 AXL (0.36) MERTKAXLTYRO3FLT3
SCHEMBL25047580 0.85 MERTK (0.32) MERTK
SCHEMBL25048022 0.85 AXL (0.36) MERTKAXLTYRO3FLT3
SCHEMBL25048045 0.83 AXL (0.33) MERTKAXLTYRO3FLT3
SCHEMBL25048089 0.83 SRC (0.49) FLT3EGFRSRC
SCHEMBL25046677 0.83 HTR2A (0.34) MERTKAXLTYRO3FLT3
SCHEMBL25047528 0.83 TYRO3 (0.37) MERTKAXLTYRO3FLT3
SCHEMBL25048097 0.80 AXL (0.32) MERTKAXLTYRO3FLT3

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