SCHEMBL29132816

SCHEMBL29132816

COC(=O)c1ccc(F)cc1Oc1cnc2[nH]cc(C(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.54
CAMKK2 Q96RR4 4/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MAP2K1 Q02750 1/20 0.43
AAK1 Q2M2I8 2/20 0.41
NEK1 Q96PY6 1/20 0.40
SGK1 O00141 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL30033214 1.00 AXL (0.54) AXLCAMKK2FFAR4MAP2K1AAK1
SCHEMBL23925207 0.90 AXL (0.46) AXLCAMKK2FFAR4MAP2K1AAK1
SCHEMBL30287304 0.88 AXL (0.45) AXLCAMKK2FFAR4MAP2K1AAK1
SCHEMBL23925237 0.88 AXL (0.45) AXLCAMKK2FFAR4MAP2K1AAK1
SCHEMBL29100095 0.85 AXL (0.46) AXLCAMKK2AAK1SGK1
SCHEMBL29132818 0.84 AXL (0.39) AXLCAMKK2AAK1
SCHEMBL523456 0.80 CDK8 (0.49) FFAR4
SCHEMBL31427495 0.80 CDK8 (0.49) FFAR4
SCHEMBL1958630 0.78 FFAR4 (0.46) AXLFFAR4
SCHEMBL1956720 0.77 FFAR4 (0.47) FFAR4

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-116981668-A Process for preparing intermediates for BCL-2 inhibitors 百济神州(北京)生物科技有限公司 2023-10-31 CN claimed
CN-116981668-A Process for preparing intermediates for BCL-2 inhibitors 百济神州(北京)生物科技有限公司 2023-10-31 CN disclosed