SCHEMBL16386311

SCHEMBL16386311

CCn1nc(C(C)C)c2c(NC)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ YTHDC1 Q96MU7 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ EGFR P00533 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ MERTK Q12866 3/20 0.34
▸ ADK P55263 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ RET P07949 3/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HCK P08631 1/20 0.32

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
SCHEMBL6926274 0.79 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPRKDCEGFR
SCHEMBL30080758 0.69 KDM4E (0.43) XDHPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL26027589 0.66 XDH (0.74) XDHSRCABL1
SCHEMBL23630539 0.65 ADK (0.39) PIK3CDPIK3CBPIK3CGYTHDC1EGFR
SCHEMBL15788906 0.64 KMT2A (0.44) XDHPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL6929476 0.64 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPRKDCEGFR
SCHEMBL17818402 0.64 ADK (0.45) PIK3CDPIK3CBPIK3CGYTHDC1PRKDC
SCHEMBL16864520 0.63 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPRKDCEGFR
SCHEMBL462054 0.63 PIK3CD (0.39) XDHPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL16604729 0.63 ALDH1A1 (0.34) PIK3CDPIK3CBPIK3CGYTHDC1KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 — — EP disclosed
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