SCHEMBL8202941

SCHEMBL8202941

Cc1nc(N)nc(N[C@H]2CC[C@H](O)CC2)c1/C=C/C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.40
PIM2 Q9P1W9 2/20 0.40
MAPK8 P45983 4/20 0.37
MAPK9 P45984 3/20 0.37
RET P07949 6/20 0.36
ROS1 P08922 6/20 0.36
FLT3 P36888 6/20 0.36
BTK Q06187 1/20 0.34
PIM1 P11309 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1984275 1.00 CHUK (0.40) CHUKPIM2MAPK8MAPK9RET
SCHEMBL1984278 1.00 CHUK (0.40) CHUKPIM2MAPK8MAPK9RET
SCHEMBL1984281 1.00 CHUK (0.40) CHUKPIM2MAPK8MAPK9RET
SCHEMBL1984570 0.87 MAPK8 (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL1984567 0.87 MAPK8 (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL1984569 0.87 MAPK8 (0.40) MAPK8MAPK9ALDH1A1
SCHEMBL395555 0.86 PIK3CA (0.39) RETROS1FLT3AXLMERTK
SCHEMBL395556 0.86 PIK3CA (0.39) RETROS1FLT3AXLMERTK
SCHEMBL8210412 0.85 CHUK (0.37) CHUKMAPK8MAPK9RETROS1
SCHEMBL13406842 0.85 CHUK (0.37) CHUKMAPK8MAPK9RETROS1

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
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed