SCHEMBL20514353

SCHEMBL20514353

Fc1cc(Br)cc2c(I)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.38
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL31049278 0.82 GPR84 (0.41) GPR84HTR2A
SCHEMBL5645619 0.80 GPR84 (0.58) GPR84HTR1ADRD2HTR2AHTR7
SCHEMBL24214968 0.77 GPR84 (0.38) GPR84HTR2A
SCHEMBL19629565 0.77 NMT1 (0.34) —
SCHEMBL17518511 0.77 AR (0.46) GPR84HTR1ADRD2HTR2AHTR7
SCHEMBL19629508 0.77 EPRS1 (0.30) —
Hydrochloric Acid SCHEMBL30233578 0.76 GPR84 (0.37) GPR84HTR2A
Hydrochloric Acid SCHEMBL26658327 0.76 GPR84 (0.37) GPR84HTR2A
SCHEMBL31714168 0.75 DPYD (0.36) —
SCHEMBL25150835 0.75 DPYD (0.36) —

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
EP-3209654-B1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-03 — — EP disclosed
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