SCHEMBL901581

SCHEMBL901581

Nc1cccc(-c2ccnc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.52
MINK1 Q8N4C8 4/20 0.52
TNIK Q9UKE5 4/20 0.52
ASIC3 Q9UHC3 1/20 0.52
ADORA2B P29275 6/20 0.51
IDO1 P14902 1/20 0.46
PDPK1 O15530 1/20 0.45
MAPT P10636 3/20 0.45
ADORA2A P29274 3/20 0.44
MAPK1 P28482 1/20 0.44
NQO2 P16083 2/20 0.43
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
SYK P43405 1/20 0.41
DHFR P00374 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL901899 0.84 ASIC3 (0.57) ASIC3PDPK1MAPTADORA2AKDM4E
SCHEMBL901571 0.79 IDO1 (0.50) MAP4K4MINK1TNIKADORA2BIDO1
SCHEMBL1225542 0.79 MAP4K4 (0.56) MAP4K4ASIC3ADORA2BIDO1PDPK1
SCHEMBL901764 0.79 ASIC3 (0.55) ASIC3ADORA2BPDPK1MAPTADORA2A
SCHEMBL3923558 0.77 ASIC3 (0.62) MAP4K4ASIC3ADORA2BIDO1PDPK1
SCHEMBL5671643 0.74 KMO (0.50) MAP4K4MINK1TNIKIDO1KDM4E
SCHEMBL31052454 0.74 ASIC3 (0.59) MAP4K4ASIC3ADORA2BPDPK1MAPT
SCHEMBL28155744 0.74 IDO1 (0.51) MAP4K4MINK1TNIKIDO1MAPT
SCHEMBL20390897 0.74 ASIC3 (0.53) ASIC3PDPK1MAPTSYK
SCHEMBL901898 0.74 ASIC3 (0.69) ASIC3PDPK1MAPTADORA2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 WO disclosed