SCHEMBL18380710

SCHEMBL18380710

COc1ccc(N(C)C(=O)/C=C/CN(C)C)cc1-n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.43
▸ BTK Q06187 8/20 0.43
▸ LCK P06239 4/20 0.43
▸ ITK Q08881 4/20 0.43
▸ SRC P12931 7/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PIK3CD O00329 6/20 0.41
▸ ABL1 P00519 6/20 0.41
▸ HCK P08631 6/20 0.41
▸ PIK3CA P42336 6/20 0.41
▸ PIK3CB P42338 6/20 0.41
▸ MTOR P42345 6/20 0.41
▸ PIK3CG P48736 6/20 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
SCHEMBL18380717 0.92 EGFR (0.47) EGFRBTKLCKITKSRC
SCHEMBL15087011 0.90 SRC (0.44) EGFRBTKLCKITKSRC
SCHEMBL15087016 0.89 SRC (0.44) EGFRBTKLCKITKSRC
SCHEMBL18380720 0.86 SRC (0.47) EGFRBTKLCKITKSRC
SCHEMBL14693595 0.86 SRC (0.55) EGFRBTKLCKITKSRC
SCHEMBL14693592 0.86 SRC (0.55) EGFRBTKLCKITKSRC
SCHEMBL15086972 0.85 FGFR2 (0.47) EGFRBTKLCKITKSRC
SCHEMBL14693569 0.84 SRC (0.54) EGFRBTKLCKITKSRC
SCHEMBL14693570 0.84 SRC (0.54) EGFRBTKLCKITKSRC
SCHEMBL14693576 0.83 SRC (0.46) EGFRBTKLCKITKSRC

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
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