SCHEMBL10270540

SCHEMBL10270540

Cc1ccc(-c2cc3nccn3c(NCCNc3ccc(N)cn3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 2/20 0.40
TLR8 Q9NR97 1/20 0.32
ACKR3 P25106 1/20 0.32
PDE10A Q9Y233 1/20 0.31
SYK P43405 2/20 0.31
DRD1 P21728 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
MAP4K1 Q92918 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
INSR P06213 1/20 0.30
LCK P06239 1/20 0.30
LYN P07948 1/20 0.30

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
SCHEMBL10270746 0.89 MAP4K2 (0.51) MAP4K2SYKALDH1A1AURKAJAK2
SCHEMBL12680514 0.86 GSK3B (0.39) MAP4K2SLK
SCHEMBL10270290 0.85 MAP4K2 (0.40) MAP4K2SYKKDM4EALDH1A1MAPT
SCHEMBL14079524 0.83 MAPK9 (0.34) MAP4K2NPC1RAB9AMAP4K4
SCHEMBL10270541 0.82 MAP4K2 (0.38) MAP4K2SYKALDH1A1AURKAJAK2
SCHEMBL10270304 0.80 SYK (0.36) MAP4K2SYKAURKAJAK2MAP4K4
SCHEMBL10270004 0.80 PRKAB2 (0.35) MAP4K2NPC1RAB9ABTK
SCHEMBL10270292 0.80 SYK (0.39) MAP4K2SYKAURKAJAK2MAP4K4
SCHEMBL10269941 0.79 METAP1 (0.35) SMN1; SMN2NPC1MAPTRAB9ABTK
SCHEMBL10270297 0.78 MAP4K4 (0.36) MAP4K2SYKNPC1AURKAJAK2

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-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed