SCHEMBL23450731

SCHEMBL23450731

CC(C)(C)OC(=O)N1CCCC(n2c(=O)[nH]c3c(N)nccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.46
▸ HCAR1 Q9BXC0 1/20 0.45
▸ HTR6 P50406 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ TEC P42680 1/20 0.41
▸ CD69 Q07108 1/20 0.41
▸ SRC P12931 2/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL30111813 1.00 BTK (0.46) BTKHCAR1HTR6HPGDSBACE1
SCHEMBL18289974 1.00 BTK (0.46) BTKHCAR1HTR6HPGDSBACE1
SCHEMBL18644666 0.94 SRC (0.45) BTKHCAR1HPGDSBACE1CTSD
SCHEMBL18285551 0.85 BTK (0.45) BTKEGFRTECCD69JAK2
SCHEMBL18285554 0.85 BTK (0.45) BTKEGFRTECCD69JAK2
SCHEMBL29737131 0.85 KDM4E (0.37) BTKHCAR1EGFRSRCPIK3CA
SCHEMBL24590579 0.85 KDM4E (0.37) BTKHCAR1EGFRSRCPIK3CA
SCHEMBL16321781 0.85 SRC (0.49) BTKHCAR1HPGDSBACE1CTSD
SCHEMBL16321782 0.85 SRC (0.49) BTKHCAR1HPGDSBACE1CTSD
SCHEMBL18818279 0.83 HCAR1 (0.41) BTKHCAR1HTR6HPGDSFPR2

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-3303334-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-06-02 — — EP disclosed
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