SCHEMBL25048898

SCHEMBL25048898

CN1CCC([C@H]2C[C@@H](n3cc(-c4nc(Cc5ccccc5)cs4)c4cnc(Cl)nc43)[C@H](O)[C@@H]2O)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 17/20 0.33
▸ FLT3 P36888 17/20 0.33
▸ TYRO3 Q06418 17/20 0.33
▸ MERTK Q12866 17/20 0.33
▸ NTRK1 P04629 2/20 0.32
▸ NTRK3 Q16288 2/20 0.32
▸ SLK Q9H2G2 2/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ MET P08581 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ MELK Q14680 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ WEE1 P30291 1/20 0.32
▸ C1S P09871 1/20 0.31
▸ CSF1R P07333 1/20 0.31

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
SCHEMBL25048509 0.92 PRCP (0.32) —
SCHEMBL30941346 0.92 PRCP (0.32) —
SCHEMBL25047882 0.92 AXL (0.32) AXLFLT3TYRO3MERTKC1S
SCHEMBL25047781 0.91 AXL (0.33) AXLFLT3TYRO3MERTKNTRK1
SCHEMBL30941162 0.91 AXL (0.33) AXLFLT3TYRO3MERTKNTRK1
SCHEMBL25048901 0.90 CNR1 (0.34) AXLFLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL30941119 0.89 GABRA1 (0.32) AXLFLT3TYRO3MERTKMET
SCHEMBL30941067 0.89 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL25048508 0.89 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL25048499 0.87 C1S (0.34) C1S

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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