SCHEMBL29964944

SCHEMBL29964944

Nc1ncccc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.52
▸ FYN P06241 2/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ ADK P55263 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ ATRIP Q8WXE1 1/20 0.46
▸ TNK2 Q07912 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ PIK3CD O00329 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45

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
SCHEMBL624415 0.88 MKNK1 (0.50) CNR2FYNMKNK1MKNK2MAPT
SCHEMBL16672309 0.82 ALDH1A1 (0.46) ATRATRIPPIK3CDMAPTALDH1A1
SCHEMBL823332 0.76 ALDH1A1 (0.48) PIK3CDMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2558872 0.75 DHFR (0.60) FYNADKBTKPIK3CDPIK3CA
SCHEMBL31455230 0.73 AKT1 (0.56) ATRATRIPMAPTMAPK1AKT1
SCHEMBL10094652 0.73 GAA (0.55) CNR2MAPTALDH1A1KDM4EHPGD
SCHEMBL28070394 0.72 TTK (0.52) CNR2FYNADKPIK3CDMAPT
SCHEMBL10062975 0.72 MAP4K4 (0.59) MKNK1MKNK2MAPTKDM4ETDP1
SCHEMBL10094618 0.71 CNR2 (0.58) CNR2MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL623411 0.71 MAP4K4 (0.61) MKNK1MKNK2TNK2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
Send feedback