SCHEMBL3634409

SCHEMBL3634409

CC(=O)NC(C)(I)c1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.36
AR P10275 3/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3641244 0.79 ABL1 (0.32) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL9980409 0.78 IDO1 (0.36) BDKRB1CNR1CNR2POLBIDO1
SCHEMBL12332349 0.77 BDKRB1 (0.35) BDKRB1CNR1CNR2POLBHDAC3
SCHEMBL3979899 0.76 ALDH1A1 (0.32)
SCHEMBL3229309 0.72
SCHEMBL2499615 0.72 MAPT (0.49) POLBMEN1LMNAGAAKMT2A
SCHEMBL1759981 0.71 DGAT1 (0.41) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL2568687 0.71 GRM5 (0.33)
SCHEMBL17765237 0.70 SLC22A12 (0.35) BDKRB1CNR1CNR2HDAC3HDAC1
Potassium Ion SCHEMBL27719591 0.70 CNR1 (0.39) BDKRB1CNR1CNR2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155742-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-24 EP disclosed
EP-2152705-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B]PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2008135785-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B] PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008129255-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 WO disclosed