SCHEMBL17928487

SCHEMBL17928487

Nc1ncnc2c1c(-c1ccc(OP)cc1)nn2[C@@H]1CCCNC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.61
▸ LCK P06239 1/20 0.61
▸ LYN P07948 1/20 0.61
▸ SRC P12931 15/20 0.58
▸ PIK3CD O00329 14/20 0.58
▸ PIK3CA P42336 14/20 0.58
▸ PIK3CB P42338 14/20 0.58
▸ PIK3CG P48736 14/20 0.58
▸ PRKDC P78527 14/20 0.58
▸ ABL1 P00519 13/20 0.58
▸ EGFR P00533 13/20 0.58
▸ HCK P08631 13/20 0.58
▸ KDR P35968 13/20 0.58
▸ MTOR P42345 13/20 0.58
▸ EPHB4 P54760 12/20 0.58
▸ PI4KB Q9UBF8 11/20 0.58
▸ NUDT14 O95848 1/20 0.52
▸ NUDT5 Q9UKK9 1/20 0.52

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
SCHEMBL17713765 0.88 BTK (0.80) BTKLCKLYNSRCABL1
SCHEMBL1614098 0.88 BTK (0.80) BTKLCKLYNSRCABL1
SCHEMBL29611773 0.88 BTK (0.80) BTKLCKLYNSRCABL1
SCHEMBL1614096 0.88 BTK (0.80) BTKLCKLYNSRCABL1
Hydrochloric Acid SCHEMBL17713743 0.87 BTK (0.78) BTKLCKLYNSRCABL1
Hydrochloric Acid SCHEMBL17713741 0.87 BTK (0.78) BTKLCKLYNSRCABL1
Hydrochloric Acid SCHEMBL16931735 0.87 BTK (0.78) BTKLCKLYNSRCABL1
Hydrochloric Acid SCHEMBL16931734 0.87 BTK (0.78) BTKLCKLYNSRCABL1
SCHEMBL22625427 0.87 EGFR (0.66) BTKLCKLYNSRCPIK3CD
SCHEMBL28402694 0.87 PIK3CD (0.61) BTKLCKLYNSRCPIK3CD

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-2650294-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2016-07-20 — — EP disclosed
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