SCHEMBL18380727

SCHEMBL18380727

COc1cc(-c2nn(-c3ccc(OC)c(N(C)C(=O)/C=C/CN(C)C4CC4)c3)c3ncnc(N)c23)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.42
▸ ABL1 P00519 12/20 0.42
▸ EGFR P00533 11/20 0.42
▸ HCK P08631 10/20 0.42
▸ PIK3CD O00329 7/20 0.42
▸ KDR P35968 7/20 0.42
▸ PIK3CA P42336 7/20 0.42
▸ PIK3CB P42338 7/20 0.42
▸ MTOR P42345 7/20 0.42
▸ PIK3CG P48736 7/20 0.42
▸ EPHB4 P54760 7/20 0.42
▸ PRKDC P78527 7/20 0.42
▸ PI4KB Q9UBF8 7/20 0.42
▸ ITK Q08881 1/20 0.41
▸ PTK6 Q13882 5/20 0.41
▸ FYN P06241 3/20 0.41
▸ LCK P06239 2/20 0.41
▸ YES1 P07947 2/20 0.41
▸ LYN P07948 2/20 0.41
▸ FGR P09769 2/20 0.41

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
SCHEMBL14706430 0.94 EGFR (0.42) SRCABL1EGFRHCKPIK3CD
SCHEMBL14706422 0.93 RIPK1 (0.41) SRCABL1EGFRHCKPIK3CD
SCHEMBL14706389 0.92 SRC (0.41) SRCABL1EGFRHCKPIK3CD
SCHEMBL15087012 0.91 EGFR (0.47) SRCABL1EGFRHCKPIK3CD
SCHEMBL14693537 0.90 BTK (0.45) SRCABL1EGFRHCKPIK3CD
SCHEMBL14693540 0.90 BTK (0.45) SRCABL1EGFRHCKPIK3CD
SCHEMBL14706390 0.90 EGFR (0.44) SRCABL1EGFRHCKPIK3CD
SCHEMBL15086973 0.89 FGFR1 (0.42) SRCABL1EGFRHCKPIK3CD
SCHEMBL14693485 0.88 BTK (0.45) SRCABL1EGFRHCKPIK3CD
SCHEMBL14693483 0.88 BTK (0.45) SRCABL1EGFRHCKPIK3CD

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
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
Send feedback