SCHEMBL20375142

SCHEMBL20375142

Cc1cc(I)ccc1NI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.34
MAP2K1 Q02750 4/20 0.34
PTK2 Q05397 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
PTPRE P23469 1/20 0.32
PTPN6 P29350 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 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
SCHEMBL20375230 0.81 IDO1 (0.41) IDO1RAPGEF4MAP2K1PTK2PTPRC
SCHEMBL23964485 0.79 IDO1 (0.40) IDO1RAPGEF4MAP2K1PTK2PTPRC
SCHEMBL6561965 0.79 IDO1 (0.40) IDO1RAPGEF4MAP2K1PTK2PTPRC
SCHEMBL9229807 0.78 RAPGEF4 (0.56) RAPGEF4GAAMEN1KMT2ATDP1
SCHEMBL13783444 0.76 CYP3A4 (0.46) IDO1MAP2K1PTPRCPTPN2PTPN1
SCHEMBL18618506 0.76 IDO1 (0.38) IDO1RAPGEF4MAP2K1PTK2PTPRC
SCHEMBL18618504 0.76 IDO1 (0.38) IDO1RAPGEF4MAP2K1PTK2PTPRC
SCHEMBL21844929 0.74 ALDH1A1 (0.42) MEN1KMT2ATDP1MAPT
SCHEMBL3219456 0.74 IDO1 (0.50) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL1748052 0.74 IDO1 (0.40) IDO1MAP2K1PTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345907-B1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-22 EP disclosed
EP-3345907-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-07-11 EP disclosed