SCHEMBL24680752

SCHEMBL24680752

CN1CCN(c2ccc(-c3cnc(N)c(Br)c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.65
JAK2 O60674 1/20 0.52
CHEK1 O14757 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ADRA2C P18825 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
MAP4K1 Q92918 6/20 0.48
ACVR1 Q04771 2/20 0.48
ACVRL1 P37023 1/20 0.46
TGFBR1 P36897 1/20 0.46
LCK P06239 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.46

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
SCHEMBL29914537 0.83 FYN (0.65) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL24681500 0.83 FYN (0.65) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL29914507 0.82 FYN (0.67) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL24680820 0.82 FYN (0.67) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL2225805 0.80 FYN (0.71) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL2225829 0.79 FYN (1.00) FYNACVR1TGFBR1LCK
SCHEMBL18613336 0.79 FYN (1.00) FYNACVR1TGFBR1LCK
SCHEMBL28051294 0.78 RPS6KA3 (0.59) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL27157553 0.77 CHEK1 (0.61) FYNJAK2CHEK1KDM4EALDH1A1
SCHEMBL21590290 0.76 MAP4K1 (0.64) CHEK1MAP4K1

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
WO-2022226667-A1 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
WO-2022226667-A1 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