SCHEMBL31484638

SCHEMBL31484638

NC(=O)c1nc(-c2cncs2)nc2cc(Cc3c(F)cccc3C(F)(F)F)sc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 0.58
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ NEK2 P51955 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ GNRHR P30968 1/20 0.32

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
SCHEMBL22946897 0.74 CD38 (1.00) CD38
SCHEMBL30142564 0.74 CD38 (1.00) CD38
SCHEMBL22932675 0.71 CD38 (1.00) CD38YTHDC1
SCHEMBL29494891 0.71 CD38 (1.00) CD38YTHDC1
SCHEMBL29696569 0.66 CD38 (0.54) CD38CYP3A4KCNH2RORC
SCHEMBL31484700 0.65 CD38 (0.55) CD38CYP3A4KCNH2GNRHR
SCHEMBL22933159 0.64 CD38 (0.70) CD38CYP3A4KCNH2YTHDC1
SCHEMBL29696520 0.64 CD38 (0.70) CD38CYP3A4KCNH2YTHDC1
SCHEMBL22932801 0.60 CD38 (1.00) CD38
SCHEMBL31484487 0.60 CD38 (1.00) CD38

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
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
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