SCHEMBL18636741

SCHEMBL18636741

Nc1nc(NCc2cccc(F)c2)cc(N2CC(N)C2)n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.80
HRH3 Q9Y5N1 3/20 0.55
PIK3CB P42338 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 1/20 0.47

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
SCHEMBL12605054 0.89 HRH4 (1.00) HRH4HRH3PIK3CB
SCHEMBL1775492 0.88 HRH4 (0.76) HRH4HRH3PIK3CB
SCHEMBL1775493 0.88 HRH4 (0.76) HRH4HRH3PIK3CB
SCHEMBL12605070 0.84 HRH4 (0.78) HRH4HRH3
SCHEMBL1775730 0.84 HRH4 (0.67) HRH4HRH3PIK3CBSMN1; SMN2APP
SCHEMBL1775731 0.84 HRH4 (0.69) HRH4HRH3PIK3CBSMN1; SMN2APP
SCHEMBL18636771 0.83 HRH4 (0.60) HRH4HRH3PIK3CBAPP
SCHEMBL12604981 0.79 HRH4 (0.63) HRH4HRH3PIK3CB
SCHEMBL1774786 0.76 HRH4 (0.79) HRH4HRH3PIK3CB
SCHEMBL5153294 0.76 HRH4 (0.57) HRH4SMN1; SMN2APP

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed