SCHEMBL22425951

SCHEMBL22425951

C=C(O)c1cnc2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.35
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ BRD9 Q9H8M2 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
SCHEMBL22252393 0.91 MALT1 (0.36) MALT1HTR2CSLC6A4P2RX3
SCHEMBL22252388 0.84 LMNA (0.36) MALT1P2RX3
SCHEMBL31161633 0.80 TYK2 (0.40) MALT1P2RX3
SCHEMBL31161680 0.80 TYK2 (0.40) MALT1P2RX3
SCHEMBL16259910 0.78 BRD9 (0.43) MALT1BRD9
SCHEMBL22252334 0.77 TYK2 (0.33) MALT1
SCHEMBL22252471 0.77 TYK2 (0.33) MALT1
SCHEMBL22252611 0.77 MALT1 (0.31) MALT1
SCHEMBL22252368 0.77 TYK2 (0.33) MALT1
SCHEMBL22273062 0.77 TYK2 (0.33) MALT1

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-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — WO disclosed
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