SCHEMBL16212968

SCHEMBL16212968

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc([AsH]c2ccnc(N3CCC(O)C3)n2)c(=O)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.42

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
SCHEMBL103720 0.88 BTK (0.47) BTK
SCHEMBL107095 0.80 BTK (0.47) BTK
SCHEMBL16213212 0.78 BTK (0.45) BTK
SCHEMBL104450 0.78 BTK (0.51) BTK
SCHEMBL103355 0.77 BTK (0.57) BTK
SCHEMBL107146 0.76 BTK (0.55) BTK
SCHEMBL4090547 0.74 BTK (0.60) BTK
SCHEMBL4080598 0.74 BTK (0.60) BTK
SCHEMBL12602919 0.73 BTK (0.64) BTK
SCHEMBL108005 0.72 BTK (0.61) BTK

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
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO disclosed