SCHEMBL25640575

SCHEMBL25640575

COC(=O)c1cnc(N2CCC3(CC2)CC(=O)C3)cc1Oc1cnc2[nH]cc(F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.35
BCL2 P10415 1/20 0.35
METAP2 P50579 2/20 0.34
AXL P30530 5/20 0.33
DDB1 Q16531 2/20 0.33
MAPT P10636 2/20 0.32
LCAT P04180 1/20 0.32
SCN9A Q15858 1/20 0.32
ROCK2 O75116 1/20 0.30
LIMK1 P53667 1/20 0.30
LIMK2 P53671 1/20 0.30
MAP2K1 Q02750 1/20 0.30
JAK3 P52333 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
SCHEMBL25640573 0.88 BCL2 (0.35) CRBNBCL2METAP2AXLDDB1
SCHEMBL30413769 0.88 BCL2 (0.43) BCL2METAP2AXLMAPT
SCHEMBL31165631 0.88 BCL2 (0.43) BCL2METAP2AXLMAPT
SCHEMBL25640574 0.83 BCL2 (0.46) CRBNBCL2DDB1
SCHEMBL23943781 0.81 BCL2 (0.36) BCL2METAP2AXLMAPTMAP2K1
SCHEMBL31390794 0.80 KMT2A (0.34) MAPT
SCHEMBL31390798 0.80 KMT2A (0.34) MAPT
SCHEMBL23944122 0.76 MAPT (0.38) BCL2METAP2AXLMAPTROCK2
SCHEMBL23943774 0.76 MEN1 (0.39) BCL2METAP2AXLMAPTMAP2K1
SCHEMBL25640549 0.75 BCL2 (0.37) BCL2METAP2

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