SCHEMBL4758037

SCHEMBL4758037

C[As](C)c1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3CCOCc3ccc(C(F)(F)P(=O)(O)O)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.38
PTPN2 P17706 4/20 0.38
PTPN6 P29350 4/20 0.38
PTPRB P23467 3/20 0.33
PTPN11 Q06124 3/20 0.33
PTPRC P08575 3/20 0.33
CDC25A P30304 1/20 0.31

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
SCHEMBL4705667 0.89 PTPN1 (0.38) PTPN1PTPN2PTPN6PTPRBPTPN11
SCHEMBL4688280 0.79 SLC2A1 (0.42)
Trifluoroacetic Acid SCHEMBL4690935 0.78 SLC2A1 (0.39) PTPN1
SCHEMBL4706538 0.75 TLR7 (0.39) PTPN1
SCHEMBL4707566 0.75 PTPN1 (0.42) PTPN1PTPN2PTPN6PTPRBPTPN11
Trifluoroacetic Acid SCHEMBL4705925 0.75 TLR7 (0.36) PTPN1
SCHEMBL4691391 0.71 SLC2A1 (0.36) PTPN1
SCHEMBL4688933 0.70 SLC2A1 (0.40) PTPN1
SCHEMBL4710085 0.70 GRIN2B (0.38) PTPN1
SCHEMBL4706331 0.69 CYP1A2 (0.39) 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-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP claimed