SCHEMBL24441136

SCHEMBL24441136

FC(F)(F)c1nccc(N[C@H]2CC[C@@H](Nc3ccc4nnc(Cl)n4n3)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 20/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KCNH2 Q12809 1/20 1.00

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
SCHEMBL24441137 1.00 MALT1 (1.00) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3727537 0.82 MALT1 (0.76) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3719743 0.76 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3719746 0.76 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2763440 0.76 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3119474 0.74 MALT1 (0.88) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL612448 0.74 MALT1 (0.64) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14422627 0.68 PIM1 (1.00) MALT1
SCHEMBL14422651 0.66 PIM1 (0.64) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14422765 0.66 PIM1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2

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-2022101676-A1 MATERIALS AND METHODS OF TREATING CANCER MONOPTEROS THERAPEUTICS,INC. (US) 2022-05-19 WO disclosed