SCHEMBL18636724

SCHEMBL18636724

CC[C@@H](C)Nc1cc(N2CCN(C)C2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.50
HRH3 Q9Y5N1 2/20 0.50
HRH2 P25021 1/20 0.50
KDR P35968 1/20 0.40
PRCP P42785 2/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL18636739 0.80 HRH4 (0.64) HRH4HRH3
SCHEMBL17623058 0.78 HRH4 (0.54) HRH4HRH3HRH2KDR
SCHEMBL1775665 0.77 HRH4 (0.61) HRH4HRH3HRH2KDR
SCHEMBL1774623 0.76 HRH4 (0.48) HRH4HRH3PRCP
SCHEMBL1774585 0.76 HRH4 (0.48) HRH4HRH3PRCP
SCHEMBL18636637 0.76 HRH4 (0.63) HRH4HRH3HRH2KDRFLT3
SCHEMBL4698011 0.75 HRH4 (0.62) HRH4HRH3
SCHEMBL1774250 0.75 HRH4 (0.62) HRH4HRH3
SCHEMBL1774487 0.72 HRH4 (0.72) HRH4HRH3HRH2KDR
SCHEMBL1774691 0.71 HRH4 (0.67) HRH4HRH3HRH2KDR

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