SCHEMBL29520501

SCHEMBL29520501

CN1CCN(c2ccc(N)cc2F)CC12CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 8/20 0.51
GFER P55789 4/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 4/20 0.40
RAD52 P43351 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
SLC6A9 P48067 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 4/20 0.36
KMT2A Q03164 2/20 0.36
PTK2B Q14289 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
NR4A1 P22736 1/20 0.36
HTT P42858 2/20 0.33
ADRA2C P18825 2/20 0.33
POLB P06746 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
SCHEMBL17265648 0.78 ALDH1A1 (0.77) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL29520409 0.78 ALDH1A1 (0.57) MAPTALDH1A1LMNAMAPK1SLC6A9
SCHEMBL29520597 0.77 ALDH1A1 (0.66) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL159044 0.77 ALDH1A1 (0.66) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL29520446 0.77 KDM4E (0.41) MAPTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL26087838 0.75 MAPT (0.55) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL23126590 0.74 MAPT (0.54) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL25091068 0.73 ALDH1A1 (0.49) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL3011234 0.72 ALDH1A1 (0.59) MAPTALDH1A1GFERLMNAMAPK1
SCHEMBL880495 0.72 ALDH1A1 (0.59) MAPTALDH1A1GFERLMNAMAPK1

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed