SCHEMBL2167592

SCHEMBL2167592

Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4F)CC3)cccc2n1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 16/20 0.87
CYP2D6 P10635 1/20 0.82
DHFR P00374 3/20 0.68

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
SCHEMBL2165608 0.93 DCPS (1.00) DCPSCYP2D6DHFR
SCHEMBL2165888 0.92 DCPS (0.77) DCPSCYP2D6DHFR
SCHEMBL2164740 0.90 DCPS (1.00) DCPSCYP2D6DHFR
SCHEMBL2165219 0.89 DCPS (0.87) DCPSCYP2D6DHFR
SCHEMBL2164756 0.88 DCPS (0.78) DCPSCYP2D6DHFR
SCHEMBL2166498 0.88 DCPS (1.00) DCPSCYP2D6DHFR
SCHEMBL2167490 0.88 DCPS (0.85) DCPSCYP2D6DHFR
SCHEMBL2167475 0.87 DCPS (0.77) DCPSCYP2D6DHFR
SCHEMBL2165987 0.87 DCPS (0.81) DCPSCYP2D6DHFR
SCHEMBL2165567 0.86 DCPS (0.82) DCPSCYP2D6DHFR

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-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US claimed