SCHEMBL4778347

SCHEMBL4778347

CC(=O)C1CNCCN1c1nc(N)nc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.43
FPR2 P25090 2/20 0.41
SCN9A Q15858 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC2 Q92769 9/20 0.39
HDAC3 O15379 7/20 0.39
HDAC1 Q13547 3/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KCNH2 Q12809 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL4354381 0.74 HRH4 (0.50) HRH4HRH3HDAC2HDAC3HDAC1
SCHEMBL4359804 0.70 HRH4 (0.68) HRH4HRH3
SCHEMBL12467234 0.70 CHEK1 (0.39) HRH4FPR2SCN9AHRH3HDAC2
SCHEMBL1693574 0.70 FPR2 (0.39) HRH4FPR2SCN9AHRH3KCNH2
SCHEMBL7512808 0.70 PTPN11 (0.38) HRH4FPR2SCN9AHDAC3
SCHEMBL4356738 0.70 HRH4 (0.51) HRH4HRH3ROCK2
SCHEMBL4101186 0.70 PDE4A (0.49) HRH4FPR2SCN9A
SCHEMBL652228 0.69 HRH4 (0.33) HRH4
SCHEMBL795138 0.69 FPR2 (0.36) HRH4FPR2SCN9AHRH3KCNH2
SCHEMBL4363831 0.68 PRKDC (0.52) HRH4HRH3TSHRCLK4

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-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed