SCHEMBL25649582

SCHEMBL25649582

Cc1ccc(-c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.56
ABL2 P42684 2/20 0.51
CSF1R P07333 2/20 0.51
GAK O14976 1/20 0.51
MLNR O43193 1/20 0.51
RIPK2 O43353 1/20 0.51
JAK2 O60674 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
MAP4K4 O95819 1/20 0.51
EGFR P00533 1/20 0.51
NR3C1 P04150 1/20 0.51
ERBB2 P04626 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
PGR P06401 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51

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
SCHEMBL16250614 0.80 ABL1 (0.80) ABL1ABL2CSF1RGAKMLNR
SCHEMBL17471717 0.78 CSF1R (0.57) ABL1CSF1RCYP3A4KCNH2ROR1
SCHEMBL14705592 0.78 CSF1R (0.55) ABL1CSF1RCYP3A4DDR1KCNH2
SCHEMBL16644546 0.78 ABL1 (0.53) ABL1ABL2CSF1RGAKMLNR
Trifluoroacetic Acid SCHEMBL30879813 0.76 ABL1 (0.58) ABL1ABL2CSF1RGAKMLNR
SCHEMBL30458494 0.75 CSF1R (0.52) ABL1CSF1RROR1
SCHEMBL15096062 0.75 ROR1 (0.67) ABL1ABL2CSF1RGAKMLNR
SCHEMBL29506341 0.75 CSF1R (0.67) ABL1CSF1RCYP3A4KCNH2ROR1
SCHEMBL22580709 0.75 CSF1R (0.61) ABL1CSF1RCYP3A4FGFR1FGFR2
SCHEMBL17471729 0.75 CSF1R (0.56) ABL1ABL2CSF1RGAKMLNR

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed