SCHEMBL23120978

SCHEMBL23120978

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2Cc1c(C(=O)O)cc(Cl)cc1N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)NC2CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ NSD2 O96028 6/20 0.33
▸ SLC29A1 Q99808 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ USP7 Q93009 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL23120979 1.00 CNR2 (0.33) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL29775914 0.94 USP7 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL29862847 0.92 DDR1 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL29862692 0.92 NSD2 (0.33) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL23136410 0.92 DDR1 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL29863107 0.91 DDR1 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL29863162 0.90 NSD2 (0.33) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL23121102 0.90 DDR1 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL23121105 0.90 DDR1 (0.34) CNR2CNR1NSD2SLC29A1FGFR1
SCHEMBL23120994 0.90 CNR2 (0.32) CNR2CNR1NSD2SLC29A1FGFR1

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
EP-4013756-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 — — EP disclosed
WO-2021053617-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
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