SCHEMBL32677601

SCHEMBL32677601

CCc1c[nH]c2c(F)c(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.39
▸ GPR17 Q13304 1/20 0.38
▸ MPO P05164 6/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ TNF P01375 3/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL32677596 1.00 GPR84 (0.39) GPR84GPR17MPOSLC6A4TNF
SCHEMBL24420520 0.82 GPR84 (0.44) GPR84MPOSLC6A4TNFRIPK1
SCHEMBL32677653 0.79 RIPK1 (0.40) GPR84GPR17MPOSLC6A4TNF
SCHEMBL32677656 0.79 RIPK1 (0.40) GPR84GPR17MPOSLC6A4TNF
SCHEMBL31188783 0.75 DYRK1A (0.50) GPR84MPOSLC6A4PIM1PIM3
SCHEMBL13715520 0.75 DYRK1A (0.50) GPR84MPOSLC6A4PIM1PIM3
SCHEMBL32677627 0.73 BRPF1 (0.51) GPR17TNFPIM1PIM3ALDH1A1
SCHEMBL22789976 0.72 GPR17 (0.47) GPR17PIM1PIM3ALDH1A1
SCHEMBL21624174 0.72 GPR84 (0.50) GPR84MPOSLC6A4HTR2A
SCHEMBL29956475 0.72 PIM3 (0.55) GPR17PIM1PIM3ALDH1A1

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-2026041636-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2026-02-26 — — WO disclosed
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