SCHEMBL4379622

SCHEMBL4379622

CC(C)Oc1cccc(C(F)(F)F)c1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
HTR2C P28335 3/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
MCHR1 Q99705 1/20 0.32
TRPA1 O75762 1/20 0.31
S1PR1 P21453 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2B P41595 2/20 0.30

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
SCHEMBL4378503 0.89 PTPN1 (0.48) PTPN1HTR2CHTR2AHTR2B
SCHEMBL3742273 0.87 PTPN1 (0.36) PTPN1HTR2CHTR2AHTR2B
SCHEMBL4384578 0.87 ALOX5AP (0.35) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL4384579 0.86 PTPN1 (0.37) PTPN1HTR2CTRPA1S1PR1HTR2A
SCHEMBL4389955 0.85 PTPN1 (0.51) PTPN1HTR2CHTR2AHTR2B
SCHEMBL4386942 0.84 PTPN1 (0.40) PTPN1
SCHEMBL4375123 0.84 PTPN1 (0.44) PTPN1
SCHEMBL4384328 0.84 PTPN1 (0.36) PTPN1HTR2CMCHR1HTR2AHTR2B
SCHEMBL4373575 0.83 PTPN1 (0.43) PTPN1
SCHEMBL4381198 0.83 PTPN1 (0.38) PTPN1HTR2CHTR2AHTR2B

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