SCHEMBL15087011

SCHEMBL15087011

Cc1ccc(N(C)C(=O)/C=C/CN(C)C)cc1-n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BTK Q06187 11/20 0.43
▸ EGFR P00533 8/20 0.43
▸ LCK P06239 5/20 0.43
▸ ITK Q08881 4/20 0.43
▸ LYN P07948 3/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ HCK P08631 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ FYN P06241 2/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ YES1 P07947 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGR P09769 1/20 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
SCHEMBL15087015 0.92 SRC (0.41) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL15087016 0.91 SRC (0.44) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL18380710 0.90 EGFR (0.43) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693595 0.88 SRC (0.55) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693592 0.88 SRC (0.55) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693570 0.86 SRC (0.54) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693569 0.86 SRC (0.54) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL18380721 0.86 SRC (0.48) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL15086971 0.86 SRC (0.48) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693576 0.85 SRC (0.46) SRCCYP1A2MEN1MAPK1KMT2A

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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