SCHEMBL29932816

SCHEMBL29932816

Nc1nc(-c2ccccc2C(F)(F)F)c(I)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 5/20 0.55
▸ DPP4 P27487 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ DBF4 Q9UBU7 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ LIMK1 P53667 1/20 0.40

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
SCHEMBL23364821 1.00 MPL (0.55) MPLDPP4RORBCDC7CCNE1
SCHEMBL23364617 0.78 MPL (0.52) MPLRORBMEN1NPC1RAB9A
SCHEMBL29932908 0.78 MPL (0.52) MPLRORBMEN1NPC1RAB9A
SCHEMBL23911667 0.78 MPL (0.51) MPLDPP4RORBCDC7CCNE1
SCHEMBL2488956 0.77 CDC7 (0.64) MPLRORBCDC7CCNE1CDK2
SCHEMBL29932787 0.77 MPL (0.50) MPLRORBMEN1NPC1RAB9A
SCHEMBL23364828 0.77 MPL (0.50) MPLRORBMEN1NPC1RAB9A
SCHEMBL31627031 0.76 MYC (0.56) MEN1KMT2ANPY5RCHEK1DAPK3
SCHEMBL14660218 0.72 ADORA2A (0.48) MPLDPP4CDC7CCNE1CDK2
SCHEMBL6344165 0.72 PIK3R1 (0.50) MPLDPP4MEN1NPC1RAB9A

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
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 — — EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 — — CN disclosed
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