SCHEMBL30790899

SCHEMBL30790899

COCCn1cc(I)c2cc(-c3ncn(CC4CN(C(=O)OC(C)(C)C)C4)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.41
▸ GPR119 Q8TDV5 1/20 0.36
▸ KAT7 O95251 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PTGER4 P35408 2/20 0.33

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
SCHEMBL20605746 1.00 MCL1 (0.41) MCL1GPR119KAT7KAT6AEGLN2
SCHEMBL20604810 0.90 MCL1 (0.49) MCL1PTGER4
SCHEMBL20604962 0.90 MCL1 (0.43) MCL1PTGER4
SCHEMBL30790922 0.90 MCL1 (0.49) MCL1PTGER4
SCHEMBL20605018 0.84 MCL1 (0.44) MCL1PTGER4
SCHEMBL20604942 0.80 MCL1 (0.46) MCL1CDK9
SCHEMBL20604830 0.78 DYRK1A (0.35) MCL1
SCHEMBL20604886 0.74 DRD2 (0.38) MCL1
SCHEMBL20604991 0.73 MCL1 (0.45) MCL1SYKPTGER4
SCHEMBL20604843 0.71 MCL1 (0.42) MCL1SYKPTGER4

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
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
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