SCHEMBL4373575

SCHEMBL4373575

Cc1ccc(Oc2cccc(C(F)(F)F)c2-c2ccc3c(n2)N=C(N)N(C)C3N)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
LTA4H P09960 1/20 0.34
PTGS2 P35354 1/20 0.34
DHFR P00374 1/20 0.32

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
SCHEMBL4375123 0.93 PTPN1 (0.44) PTPN1LTA4HPTGS2DHFR
SCHEMBL4389955 0.92 PTPN1 (0.51) PTPN1LTA4HPTGS2
SCHEMBL4371458 0.92 PTPN1 (0.42) PTPN1LTA4HPTGS2
SCHEMBL4384842 0.87 PTPN1 (0.42) PTPN1
SCHEMBL4378695 0.86 PTPN1 (0.41) PTPN1
SCHEMBL4378503 0.86 PTPN1 (0.48) PTPN1
SCHEMBL4386942 0.86 PTPN1 (0.40) PTPN1
SCHEMBL3742273 0.85 PTPN1 (0.36) PTPN1
SCHEMBL4384579 0.83 PTPN1 (0.37) PTPN1
SCHEMBL4379622 0.83 PTPN1 (0.37) PTPN1

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
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed