SCHEMBL31471043

SCHEMBL31471043

CCC(CC)Nc1ncc(Br)nc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 11/20 0.41
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ PDE1B Q01064 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ CCR4 P51679 2/20 0.32
▸ FYN P06241 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL3018852 0.88 CRHR1 (0.38) CRHR1LATS1LATS2HCAR3HCAR2
SCHEMBL5414343 0.83 CRHR1 (0.51) CRHR1CCR4
SCHEMBL3952919 0.77 EGFR (0.49) CRHR1
SCHEMBL18824620 0.75 ADORA2A (0.37) CCR4ADORA2A
SCHEMBL31362142 0.75 ADORA2A (0.37) CCR4ADORA2A
SCHEMBL4627789 0.74 CRHR1 (0.38) CRHR1
SCHEMBL4935031 0.72 CRHR1 (0.41) CRHR1LATS1LATS2
SCHEMBL21388100 0.71 ADORA3 (0.35) CCR4ADORA3ADORA2AADORA2BADORA1
SCHEMBL3772683 0.70 KMT2A (0.46) CRHR1HCAR3HCAR2
SCHEMBL12531832 0.70 KDM4E (0.47) CRHR1

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-113490668-B Compounds and compositions for the treatment of diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2025-02-25 — — CN disclosed
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