SCHEMBL6807516

SCHEMBL6807516

CCCCc1nc2c(N)nc3ccc(CCCCN)nc3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
TLR8 Q9NR97 14/20 0.40
TLR7 Q9NYK1 1/20 0.40
DHFR P00374 4/20 0.40

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
SCHEMBL5616291 0.81 DHFR (0.39) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL18585619 0.77 TLR8 (0.52) TLR8TLR7
SCHEMBL7253489 0.76 EPHX1 (0.45)
SCHEMBL18587553 0.74 TLR8 (0.50) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL9038851 0.73 PARP1 (0.57) TLR8TLR7
SCHEMBL14125777 0.73 CSNK1A1 (0.43) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL20134736 0.71 DHFR (0.67) DHFR
SCHEMBL29871746 0.71 TLR7 (0.48) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL31151227 0.70 TLR8 (0.51) TLR8TLR7
SCHEMBL18109747 0.70 DHFR (0.69) DHFR

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
US-6693113-B2 2-methyl-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]napthyridin-4 amine 3M INNOVATIVE PROPERTIES COMPANY 2004-02-17 US disclosed