SCHEMBL21496933

SCHEMBL21496933

O=C(NC1C(C(=O)O)CC12CCC2)c1cccc2cn[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ MST1R Q04912 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ BTK Q06187 1/20 0.45

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
SCHEMBL21496941 0.82 KEAP1 (0.47) IDO1
SCHEMBL31731392 0.82 KEAP1 (0.47) IDO1
SCHEMBL14614929 0.74 PTGES (0.59) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL23185459 0.74 PLK4 (0.50) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL26432903 0.72 PLK4 (0.48) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL14391753 0.71 TDO2 (0.51) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL28917070 0.71 CDK2 (0.56) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL24992498 0.70 PLK4 (0.62) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL23413072 0.69 CRBN (0.59) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL24433138 0.69 PLK4 (0.64) CDK5PLK4CHEK1AURKADAPK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781550-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF Tempest Therapeutics, Inc. (US) 2021-02-24 — — EP claimed
WO-2019204523-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. (US) 2019-10-24 — — WO claimed
EP-3781550-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF Tempest Therapeutics, Inc. (US) 2021-02-24 — — EP disclosed
WO-2019204523-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
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