SCHEMBL28524722

SCHEMBL28524722

Nc1nc(N)c2nc(CF)cnc2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.54
DHFR P00374 1/20 0.51

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
SCHEMBL30432658 0.84 NOS1 (0.55) NOS1DHFR
SCHEMBL14435374 0.84 NOS1 (0.55) NOS1DHFR
SCHEMBL64019 0.82 NOS1 (0.54) NOS1DHFR
SCHEMBL64146 0.82 NOS1 (0.54) NOS1DHFR
SCHEMBL30435493 0.82 NOS1 (0.54) NOS1DHFR
SCHEMBL8813960 0.82 NOS1 (0.54) NOS1DHFR
SCHEMBL8813993 0.82 NOS1 (0.61) NOS1DHFR
SCHEMBL5013975 0.82 NOS1 (0.61) NOS1DHFR
SCHEMBL31143797 0.82 NOS1 (0.54) NOS1DHFR
SCHEMBL30849162 0.82 NOS1 (0.54) NOS1DHFR

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
CN-105272983-B High-purity pradaqusha solid and preparation method thereof 连云港润众制药有限公司 2021-01-15 CN disclosed