SCHEMBL21236158

SCHEMBL21236158

C=Nc1cc(Br)nn1CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 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
SCHEMBL25831575 0.74 — —
SCHEMBL18717726 0.73 — —
SCHEMBL21582005 0.71 ADORA2A (0.36) ADORA2AADORA2B
SCHEMBL26605563 0.71 — —
SCHEMBL25835823 0.67 GAA (0.38) ADORA2AADORA2B
SCHEMBL18717725 0.67 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL21236592 0.65 LMNA (0.36) —
SCHEMBL19720500 0.63 CRHR1 (0.35) ADORA2AADORA2B
SCHEMBL21582003 0.63 SMN1; SMN2 (0.38) —
SCHEMBL31094892 0.61 KDM4E (0.38) —

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-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 — — EP disclosed
WO-2019149734-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2019-08-08 — — WO disclosed
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