SCHEMBL11048807

SCHEMBL11048807

Cc1nc2c(O)c(CN(C)C)ccn2c1CC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
IGF1R P08069 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKACA P17612 1/20 0.55

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
SCHEMBL9283403 0.75 CHEK1 (0.60) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL11048062 0.75 ATP4A (0.51) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL11048065 0.75 ATP4A (0.51) CHEK1AURKADAPK3JAK2PRKD3
Hydrochloric Acid SCHEMBL11050041 0.74 ATP4A (0.50) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL5633386 0.72 ATP4A (0.60) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL197301 0.71 CHEK1 (1.00) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL10690155 0.69 ATP4A (0.55) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5633236 0.67 ATP4A (0.60) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10694506 0.65 ATP4A (0.48) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10686121 0.65 ATP4A (0.46) ATP4AATP4BMEN1CYP1A2CYP3A4

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
US-4468400-A PEPTIC ULCERS SCHERING CORPORATION (US) 1984-08-28 US disclosed