SCHEMBL2166853

SCHEMBL2166853

Nc1nc(N)c2c(OCC3CCN(C(=O)c4cccc(F)c4)CC3)cccc2n1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 16/20 0.80
CYP2D6 P10635 1/20 0.59
DHFR P00374 3/20 0.57
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 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
SCHEMBL2164637 0.92 DCPS (0.75) DCPSCYP2D6DHFR
SCHEMBL2164650 0.90 DCPS (0.76) DCPSCYP2D6DHFR
SCHEMBL2166003 0.89 DCPS (0.81) DCPSCYP2D6DHFR
SCHEMBL2164375 0.89 DCPS (0.69) DCPSCYP2D6DHFRUBE2MDCUN1D1
SCHEMBL2164728 0.89 DCPS (0.69) DCPSCYP2D6DHFR
SCHEMBL1154622 0.89 DCPS (0.80) DCPSCYP2D6DHFR
SCHEMBL2165472 0.89 DCPS (0.80) DCPSCYP2D6DHFR
SCHEMBL1155110 0.89 DCPS (0.80) DCPSCYP2D6DHFR
SCHEMBL2166197 0.89 DCPS (0.71) DCPSCYP2D6DHFR
SCHEMBL2166383 0.87 DCPS (0.77) 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