SCHEMBL7310219

SCHEMBL7310219

Nc1nc(-c2ccncc2)nc2c1c(Br)nn2C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.38
PIK3CA P42336 10/20 0.38
PIK3CB P42338 10/20 0.38
PIK3CG P48736 10/20 0.38
PRKDC P78527 10/20 0.38
ABL1 P00519 9/20 0.38
EGFR P00533 9/20 0.38
HCK P08631 9/20 0.38
SRC P12931 9/20 0.38
MTOR P42345 9/20 0.38
EPHB4 P54760 9/20 0.38
KDR P35968 8/20 0.38
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
JAK1 P23458 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7315963 0.85 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7316083 0.84 KDM4E (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7309931 0.82 S1PR1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7312205 0.81 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7310653 0.75 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGMTORS1PR1
SCHEMBL7308816 0.72 KDR (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19476921 0.71 JAK2 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30079960 0.70 JAK2 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19463433 0.70 JAK2 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL863767 0.69 RET (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed