SCHEMBL28824930

SCHEMBL28824930

Cc1cc(F)cc(Nc2ncc(Nc3ccccc3Cl)cc2C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
TYK2 P29597 7/20 0.44
JAK2 O60674 6/20 0.44
JAK1 P23458 5/20 0.44
JAK3 P52333 5/20 0.44
EGFR P00533 1/20 0.44
FGFR1 P11362 1/20 0.44
MAP4K4 O95819 1/20 0.44
GSK3B P49841 1/20 0.44
CSF1R P07333 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
SYK P43405 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL29898289 0.90 LMNA (0.43) SMN1; SMN2MAPK9MAPK10TYK2JAK2
SCHEMBL28824917 0.90 LMNA (0.43) SMN1; SMN2MAPK9MAPK10TYK2JAK2
SCHEMBL29898301 0.86 LMNA (0.48) SMN1; SMN2MAPK9TYK2JAK2CSF1R
SCHEMBL28824948 0.86 LMNA (0.48) SMN1; SMN2MAPK9TYK2JAK2CSF1R
SCHEMBL28824923 0.86 HDAC3 (0.48) SMN1; SMN2TYK2CSF1RSYKLMNA
SCHEMBL28824929 0.84 CSF1R (0.45) SMN1; SMN2TYK2CSF1RAURKBSYK
SCHEMBL29898255 0.80 MAPT (0.45) SMN1; SMN2CSF1RSYKLMNAMAPT
SCHEMBL28824931 0.80 MAPT (0.45) SMN1; SMN2CSF1RSYKLMNAMAPT
SCHEMBL28824932 0.80 KDR (0.49) SMN1; SMN2MAPK9MAPK10EGFRSYK
SCHEMBL28824919 0.80 BLK (0.49) SMN1; SMN2TYK2AURKAAURKBSYK

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-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 CN disclosed