SCHEMBL25640573

SCHEMBL25640573

COC(=O)c1cc(F)c(N2CCC3(CC2)CC(=O)C3)cc1Oc1cnc2[nH]cc(F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.35
METAP2 P50579 2/20 0.34
MAPT P10636 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
AXL P30530 7/20 0.33
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ROCK2 O75116 1/20 0.30
LIMK1 P53667 1/20 0.30
LIMK2 P53671 1/20 0.30

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
SCHEMBL25640575 0.88 CRBN (0.35) BCL2METAP2MAPTAXLDDB1
SCHEMBL31165631 0.88 BCL2 (0.43) BCL2METAP2MAPTAXLBCL2L1
SCHEMBL30413769 0.88 BCL2 (0.43) BCL2METAP2MAPTAXLBCL2L1
SCHEMBL30415103 0.86 BCL2 (0.45) BCL2BCL2L1
SCHEMBL25640548 0.86 BCL2 (0.45) BCL2BCL2L1
SCHEMBL23943781 0.81 BCL2 (0.36) BCL2METAP2MAPTAXLBCL2L1
SCHEMBL23944122 0.76 MAPT (0.38) BCL2METAP2MAPTAXLBCL2L1
SCHEMBL23943774 0.76 MEN1 (0.39) BCL2METAP2MAPTAXLBCL2L1
SCHEMBL25640549 0.75 BCL2 (0.37) BCL2METAP2
SCHEMBL23925207 0.73 AXL (0.46) FFAR4AXL

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-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed