SCHEMBL29132818

SCHEMBL29132818

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.39
CAMKK2 Q96RR4 4/20 0.39
PAK1 Q13153 1/20 0.37
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29100095 0.85 AXL (0.46) AXLCAMKK2PYGLPYGMAAK1
SCHEMBL29132816 0.84 AXL (0.54) AXLCAMKK2AAK1
SCHEMBL30033214 0.84 AXL (0.54) AXLCAMKK2AAK1
SCHEMBL23925237 0.75 AXL (0.45) AXLCAMKK2AAK1
SCHEMBL30287304 0.75 AXL (0.45) AXLCAMKK2AAK1
SCHEMBL19692583 0.75 CDK8 (0.47) AXL
SCHEMBL23925207 0.74 AXL (0.46) AXLCAMKK2AAK1
SCHEMBL31368049 0.70 JAK2 (0.46) AXLPAK1PKMCYP2C9CYP2C19
SCHEMBL2814713 0.69 AXL (0.47) AXLCAMKK2KDM4E
SCHEMBL23541592 0.69 AXL (0.52) AXLCAMKK2PAK1AAK1

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