SCHEMBL14543100

SCHEMBL14543100

CN[C@H]1CCN(c2cc(N)n3ncc(Br)c3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 20/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL15146127 1.00 HRH4 (0.53) HRH4HRH3
SCHEMBL13153140 0.86 HRH4 (0.53) HRH4HRH3
SCHEMBL14545856 0.84 CHEK1 (0.40) HRH4HRH3
SCHEMBL11930824 0.83 HRH4 (0.49) HRH4HRH3
SCHEMBL11930818 0.83 HRH4 (0.49) HRH4HRH3
SCHEMBL14050863 0.81 SUV39H2 (0.49) —
SCHEMBL11930825 0.80 CDK2 (0.47) HRH4HRH3
SCHEMBL14050954 0.77 SUV39H2 (0.44) —
SCHEMBL11930827 0.77 CDK2 (0.48) HRH4HRH3
SCHEMBL13845460 0.77 CDK2 (0.50) HRH4

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-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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