SCHEMBL23892689

SCHEMBL23892689

COc1cc2c(N)c(C#N)cnc2cc1OC[C@@H]1CC[C@H](n2ccc3c(N)ncnc32)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.41
▸ ABL1 P00519 9/20 0.41
▸ ABL2 P42684 9/20 0.41
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ ENPP1 P22413 5/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36

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
SCHEMBL25955833 0.92 SRC (0.40) SRCABL1ABL2EGFRERBB2
SCHEMBL23892454 0.85 PRMT5 (0.46) PRMT5WDR77METTL3
SCHEMBL25955837 0.85 PRMT5 (0.42) PRMT5WDR77METTL3
SCHEMBL23892564 0.85 EPHA2 (0.39) EGFRERBB2PRMT5WDR77METTL3
SCHEMBL23892623 0.85 EPHA2 (0.39) EGFRERBB2PRMT5WDR77METTL3
SCHEMBL23892504 0.84 SRC (0.41) SRCABL1ABL2EGFRERBB2
SCHEMBL18571823 0.82 PRMT5 (0.54) PRMT5WDR77METTL3
SCHEMBL18572869 0.80 PRMT5 (0.43) PRMT5WDR77METTL3
SCHEMBL22684768 0.79 PRMT5 (0.45) PRMT5WDR77METTL3
SCHEMBL23892641 0.79 PRMT5 (0.47) PRMT5WDR77METTL3

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-3341368-B1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-10-06 — — EP disclosed
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