SCHEMBL15086972

SCHEMBL15086972

COc1cc(N(C)C(=O)/C=C/CN(C)C)cc(-n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 6/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FGFR3 P22607 2/20 0.47
▸ SRC P12931 5/20 0.47
▸ BTK Q06187 7/20 0.45
▸ EGFR P00533 6/20 0.45
▸ LCK P06239 4/20 0.45
▸ ITK Q08881 4/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDR P35968 2/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ FGFR4 P22455 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
SCHEMBL18380715 0.92 SRC (0.44) FGFR2FGFR1FGFR3SRCBTK
SCHEMBL15086971 0.91 SRC (0.48) SRCBTKEGFRLCKITK
SCHEMBL14693569 0.88 SRC (0.54) SRCBTKEGFRLCKITK
SCHEMBL14693570 0.88 SRC (0.54) SRCBTKEGFRLCKITK
SCHEMBL14693592 0.88 SRC (0.55) SRCBTKEGFRLCKITK
SCHEMBL14693595 0.88 SRC (0.55) SRCBTKEGFRLCKITK
SCHEMBL18380720 0.85 SRC (0.47) FGFR2FGFR1FGFR3SRCBTK
SCHEMBL18380710 0.85 EGFR (0.43) FGFR2FGFR1FGFR3SRCBTK
SCHEMBL15087011 0.83 SRC (0.44) FGFR2FGFR1FGFR3SRCBTK
SCHEMBL18380716 0.83 SRC (0.48) SRCBTKEGFRLCKITK

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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