SCHEMBL30930358

SCHEMBL30930358

N#Cc1ccc(N(Cc2n[nH]c3c2COCC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.40
▸ EGFR P00533 2/20 0.37
▸ ERBB2 P04626 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ CHEK1 O14757 3/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35

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
SCHEMBL30930372 0.94 MCHR1 (0.40) MCHR1EGFRERBB2PIK3R1PIK3CA
SCHEMBL30930326 0.90 MCHR1 (0.37) MCHR1EGFRERBB2PIK3R1PIK3CA
SCHEMBL30930387 0.87 MCHR1 (0.40) MCHR1EGFRERBB2PIK3R1PIK3CA
SCHEMBL30930420 0.87 SMN1; SMN2 (0.36) MCHR1
SCHEMBL30930435 0.85 MCHR1 (0.40) MCHR1EGFRERBB2PIK3R1PIK3CA
SCHEMBL30930343 0.84 MCHR1 (0.37) MCHR1EGFRERBB2PIK3R1PIK3CA
SCHEMBL30930460 0.82 MCHR1 (0.36) MCHR1
SCHEMBL30930454 0.80 MEN1 (0.38) MCHR1
SCHEMBL30930463 0.76 MEN1 (0.38) MCHR1
SCHEMBL30930451 0.76 MCHR1 (0.44) MCHR1EGFRERBB2CHEK1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN claimed
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN disclosed
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