Sugi Predict

Sugi Predict / Compounds / SCHEMBL5212593

SCHEMBL5212593

SCHEMBL5212593

CCCCOc1cccc(Cc2ccnc(N)c2N)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 12/20 0.65
▸ TSHR P16473 1/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL18618861 0.84 DHFR (0.67) DHFRPKM
SCHEMBL5214698 0.82 DHFR (0.63) DHFR
SCHEMBL5213984 0.79 BACE1 (0.63) DHFR
SCHEMBL18621217 0.76 DHFR (0.63) DHFRTSHR
SCHEMBL5215414 0.75 DHFR (0.48) DHFR
SCHEMBL13687772 0.74 DHFR (0.56) DHFRTSHR
SCHEMBL2903758 0.73 TSHR (0.56) DHFRTSHR
SCHEMBL8265248 0.72 BACE1 (0.67) DHFRTSHR
SCHEMBL720798 0.72 CYP2D6 (0.58) DHFRTSHR
SCHEMBL11050996 0.72 KDM4E (0.60) DHFRTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed