SCHEMBL17674505

SCHEMBL17674505

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.74
▸ NEK2 P51955 1/20 0.57
▸ TLK2 Q86UE8 15/20 0.57
▸ NTRK1 P04629 3/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ RET P07949 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ GSK3A P49840 2/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ CDK7 P50613 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ CDK5 Q00535 2/20 0.56
▸ PLK4 O00444 1/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ ROCK2 O75116 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56

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
SCHEMBL17679344 1.00 PDPK1 (0.74) PDPK1NEK2TLK2NTRK1CDK1
SCHEMBL23369116 1.00 PDPK1 (0.74) PDPK1NEK2TLK2NTRK1CDK1
SCHEMBL17679290 0.86 PDPK1 (1.00) PDPK1NEK2TLK2NTRK1CDK1
SCHEMBL23369222 0.86 PDPK1 (1.00) PDPK1NEK2TLK2NTRK1CDK1
SCHEMBL30155085 0.84 NPC1 (0.55) PDPK1RETAURKAAURKBNPC1
SCHEMBL24967118 0.84 NPC1 (0.55) PDPK1RETAURKAAURKBNPC1
SCHEMBL30155038 0.84 NPC1 (0.55) PDPK1RETAURKAAURKBNPC1
SCHEMBL24967154 0.84 TLK2 (0.55) PDPK1TLK2NTRK1RETAURKA
SCHEMBL30155027 0.84 TLK2 (0.55) PDPK1TLK2NTRK1RETAURKA
SCHEMBL24967156 0.82 PDPK1 (0.50) PDPK1GSK3BAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373488-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS Rapposelli, Simona (IT) 2024-05-29 — — EP claimed
WO-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 — — WO claimed
EP-3204002-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS International Society for Drug Development S.r.l. (IT) 2017-08-16 — — EP claimed
WO-2016055454-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2016-04-14 — — WO claimed
EP-4373488-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS Rapposelli, Simona (IT) 2024-05-29 — — EP disclosed
WO-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 — — WO disclosed
EP-3204002-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS International Society for Drug Development S.r.l. (IT) 2017-08-16 — — EP disclosed
WO-2016055454-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2016-04-14 — — WO disclosed
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