SCHEMBL15087014

SCHEMBL15087014

COc1cc(-c2nn(-c3cccc(N(C)C(=O)/C=C/CN(C)C4CC4)c3F)c3ncnc(N)c23)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.42
▸ BTK Q06187 9/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ FRK P42685 1/20 0.40
▸ PTK6 Q13882 1/20 0.40

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
SCHEMBL18380748 0.93 EGFR (0.41) EGFRBTKRIPK1ABL1SRC
SCHEMBL14706430 0.88 EGFR (0.42) EGFRBTKABL1KITSRC
SCHEMBL14706422 0.87 RIPK1 (0.41) EGFRBTKRIPK1ABL1KIT
SCHEMBL15087013 0.87 SRC (0.43) EGFRBTKABL1SRCFRK
SCHEMBL18380727 0.86 SRC (0.42) EGFRBTKABL1KITSRC
SCHEMBL14693540 0.86 BTK (0.45) EGFRBTKRIPK1ABL1KIT
SCHEMBL14693537 0.86 BTK (0.45) EGFRBTKRIPK1ABL1KIT
SCHEMBL15086974 0.86 EGFR (0.41) EGFRBTKRIPK1ABL1SRC
SCHEMBL14706389 0.85 SRC (0.41) EGFRBTKABL1KITSRC
SCHEMBL14693483 0.84 BTK (0.45) EGFRBTKRIPK1ABL1KIT

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 3 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
WO-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO disclosed
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