SCHEMBL25047781

SCHEMBL25047781

CN1CCCC([C@H]2C[C@@H](n3cc(-c4nc(Cc5ccccc5)cs4)c4cnc(Cl)nc43)[C@H](O)[C@@H]2O)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 14/20 0.33
▸ FLT3 P36888 14/20 0.33
▸ TYRO3 Q06418 14/20 0.33
▸ MERTK Q12866 14/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ ADORA3 P0DMS8 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
SCHEMBL30941162 1.00 AXL (0.33) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25048898 0.91 AXL (0.33) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047785 0.91 MAP4K4 (0.31) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047782 0.91 CNR1 (0.34) AXLFLT3TYRO3MERTKDRD2
SCHEMBL25047784 0.88 AXL (0.30) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25048476 0.88 C1S (0.33) DRD2DRD4DRD3
SCHEMBL30940812 0.88 C1S (0.33) DRD2DRD4DRD3
SCHEMBL30940995 0.88 C1S (0.33) DRD2DRD4DRD3
SCHEMBL25048576 0.88 C1S (0.33) DRD2DRD4DRD3
SCHEMBL25047580 0.86 MERTK (0.32) MERTK

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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