SCHEMBL18599166

SCHEMBL18599166

Cc1nn(C2CCCNC2)c2ncnc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.50
KDR P35968 14/20 0.50
EGFR P00533 14/20 0.50
PIK3CD O00329 14/20 0.50
PIK3CA P42336 14/20 0.50
PIK3CB P42338 14/20 0.50
PIK3CG P48736 14/20 0.50
PRKDC P78527 14/20 0.50
ABL1 P00519 13/20 0.50
HCK P08631 13/20 0.50
MTOR P42345 13/20 0.50
EPHB4 P54760 12/20 0.50
PI4KB Q9UBF8 12/20 0.50
RET P07949 4/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL19565379 1.00 SRC (0.50) SRCKDREGFRPIK3CDPIK3CA
SCHEMBL24251925 0.92 SRC (0.57) SRCKDREGFRPIK3CDPIK3CA
SCHEMBL18426277 0.87 JAK2 (0.54) SRCKDREGFRPIK3CDPIK3CA
SCHEMBL17779748 0.87 JAK2 (0.54) SRCKDREGFRPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL18426627 0.86 JAK2 (0.53) SRCKDREGFRPIK3CDPIK3CA
SCHEMBL13860277 0.86 SRC (0.62) SRCKDREGFRPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL18426628 0.86 JAK2 (0.53) SRCKDREGFRPIK3CDPIK3CA
SCHEMBL4826019 0.86 SRC (0.62) SRCKDREGFRPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL17911530 0.85 SRC (0.60) SRCKDREGFRPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL17770592 0.85 SRC (0.60) SRCKDREGFRPIK3CDPIK3CA

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
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 EP disclosed