SCHEMBL20214725

SCHEMBL20214725

O=C(O)N1CCc2cc(C(F)(F)F)c([N+](=O)[O-])cc2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
TMEM97 Q5BJF2 4/20 0.41
SIRT6 Q8N6T7 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SERPINE1 P05121 1/20 0.37

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
SCHEMBL28537308 0.83 HPGD (0.44) MAPTHTTLMNAHPGDGAA
SCHEMBL27042742 0.83 THRA (0.40) MAPTHTTLMNAHPGDPOLB
SCHEMBL29172301 0.81 HPGD (0.45) MAPTHTTSIRT6HPGDGAA
SCHEMBL27042944 0.80 HPGD (0.44) MAPTHTTLMNAHPGDGAA
SCHEMBL28711869 0.80 GAA (0.47) MAPTHTTHPGDGAARAB9A
SCHEMBL20214714 0.79 ESR2 (0.42) HTTGAAESR1ESR2THRB
SCHEMBL11318782 0.77 MAPT (0.56) MAPTHTTLMNAPOLBRAB9A
SCHEMBL29172296 0.77 KDM4E (0.44) MAPTHTTLMNAHPGDPOLB
SCHEMBL29846862 0.74 ESR1 (0.56) MAPTHTTLMNAHPGDGAA
SCHEMBL28831839 0.74 ESR1 (0.56) MAPTHTTLMNAHPGDGAA

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-3548479-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-09 EP disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed