SCHEMBL2522497

SCHEMBL2522497

CC1CCC(N)CN1c1cnc(N)nc1-c1ccc(C#N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.44
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL2533437 0.82 MTOR (0.39) KDM1ATLR9TLR8TLR7PIK3CD
SCHEMBL1317131 0.78 KDM1A (0.49) KDM1AMTORCYP11B1CYP11B2
SCHEMBL2447251 0.78 KDM1A (0.49) KDM1AMTORCYP11B1CYP11B2
SCHEMBL2506224 0.68 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL2507060 0.68 CYP11B2 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL2521058 0.67 EGLN2 (0.39) KDM1ATLR9TLR8TLR7CYP11B1
SCHEMBL24699037 0.67 MTOR (0.44) KDM1AMTORCYP11B1CYP11B2
SCHEMBL30016357 0.67 MTOR (0.44) KDM1AMTORCYP11B1CYP11B2
SCHEMBL1317339 0.66 PDPK1 (0.50) KDM1AMTORPIK3CG
SCHEMBL2523604 0.66 KDM1A (0.39) KDM1ACYP11B1CYP11B2

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed