SCHEMBL18285534

SCHEMBL18285534

CCCCOC(=O)N1CCCC1Cn1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)nccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.49
▸ EGFR P00533 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL28484529 0.90 BTK (0.54) BTKEGFRTECCD69HRH3
SCHEMBL18285607 0.89 BTK (0.54) BTKEGFRTECCD69HRH3
SCHEMBL18285610 0.89 BTK (0.54) BTKEGFRTECCD69HRH3
SCHEMBL18818235 0.77 BTK (0.58) BTKEGFRTECCD69
SCHEMBL18818236 0.77 BTK (0.58) BTKEGFRTECCD69
SCHEMBL23450721 0.75 BTK (0.57) BTKEGFRTECCD69
SCHEMBL30111802 0.75 BTK (0.57) BTKEGFRTECCD69
SCHEMBL28484312 0.72 HRH3 (0.42) BTKHRH3FFAR1
SCHEMBL18285658 0.71 BTK (0.69) BTKEGFRTECCD69
SCHEMBL30866994 0.71 BTK (0.69) BTKEGFRTECCD69

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-3303334-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-04-11 — — EP disclosed
WO-2016196840-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-08 — — WO disclosed
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