SCHEMBL18345142

SCHEMBL18345142

Nc1nccn2c([C@@H]3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 20/20 0.82

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
SCHEMBL18345144 1.00 TNK2 (0.82) TNK2
SCHEMBL4357925 0.90 TNK2 (1.00) TNK2
SCHEMBL21044853 0.87 TNK2 (0.82) TNK2
SCHEMBL410102 0.87 TNK2 (0.82) TNK2
SCHEMBL13618363 0.82 TNK2 (0.83) TNK2
SCHEMBL1131228 0.82 TNK2 (1.00) TNK2
SCHEMBL4356082 0.80 TNK2 (1.00) TNK2
SCHEMBL4361306 0.80 TNK2 (1.00) TNK2
SCHEMBL4358422 0.80 TNK2 (1.00) TNK2
SCHEMBL4361594 0.79 TNK2 (1.00) TNK2

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-3313839-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-05-02 EP disclosed
WO-2016210165-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-29 WO disclosed