SCHEMBL29914537

SCHEMBL29914537

CN1CCN(c2ccc(-c3cnc(N)c(Cl)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
MAP4K1 Q92918 5/20 0.52
LCK P06239 1/20 0.52
MAP4K3 Q8IVH8 1/20 0.52
ACVR1 Q04771 2/20 0.50
TGFBR1 P36897 1/20 0.50
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
ALK Q9UM73 1/20 0.48

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
SCHEMBL24681500 1.00 FYN (0.65) FYNJAK2MAP4K1LCKMAP4K3
SCHEMBL24681285 0.87 TGFBR1 (0.52) FYNJAK2ACVR1TGFBR1
SCHEMBL29964174 0.87 TGFBR1 (0.52) FYNJAK2ACVR1TGFBR1
SCHEMBL29963887 0.86 TGFBR1 (0.54) FYNJAK2ACVR1TGFBR1KDM4E
SCHEMBL24681609 0.85 FYN (0.49) FYNJAK2MAP4K1LCKMAP4K3
SCHEMBL24681088 0.85 DHFR (0.53) FYNJAK2LCKACVR1TGFBR1
SCHEMBL29914393 0.85 DHFR (0.53) FYNJAK2LCKACVR1TGFBR1
SCHEMBL24681169 0.84 FYN (0.59) FYNJAK2ACVR1TGFBR1
SCHEMBL24680752 0.83 FYN (0.65) FYNJAK2MAP4K1LCKMAP4K3
SCHEMBL24680820 0.82 FYN (0.67) FYNJAK2MAP4K1ACVR1TGFBR1

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-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