SCHEMBL672495

SCHEMBL672495

CNc1nc(-c2ccncn2)c(N2CCOCC2)nc1C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.38
▸ FLT3 P36888 2/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ SYK P43405 4/20 0.35
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PRKD1 Q15139 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL12468308 0.82 GSK3B (0.33) GSK3BFLT3KCNH2
SCHEMBL674039 0.76 FLT3 (0.35) GSK3BFLT3SYKPRKD1KCNH2
SCHEMBL672462 0.75 GSK3B (0.36) GSK3BFLT3KCNH2
SCHEMBL672461 0.73 KCNH2 (0.36) GSK3BFLT3KCNH2
SCHEMBL12468151 0.70 KCNH2 (0.34) GSK3BMAPK11MAPK14KCNH2
SCHEMBL672939 0.63 ROCK1 (0.30) —
SCHEMBL672451 0.63 PRKCI (0.35) GSK3BKCNH2
SCHEMBL674121 0.62 GSK3B (0.36) GSK3BKCNH2
SCHEMBL674120 0.62 MAP4K1 (0.35) GSK3BKCNH2
SCHEMBL20577255 0.62 HTR3A (0.41) KCNH2

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
EP-2606051-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2013-06-26 — — EP disclosed
WO-2012022045-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 — — WO disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 — — WO disclosed
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