SCHEMBL4085141

SCHEMBL4085141

CC(=O)c1cnc2c(Cl)cccc2c1C1CC=NN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.43
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PARP1 P09874 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34

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
SCHEMBL2717720 0.73 HAVCR2 (0.57) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL2829190 0.68 HAVCR2 (0.55) HAVCR2CDK5SMN1; SMN2NR1H2NR1H3
SCHEMBL2720744 0.67 HAVCR2 (0.50) HAVCR2NR1H2NR1H3POLBLMNA
SCHEMBL2729630 0.66 HAVCR2 (0.46) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL28623357 0.65 HAVCR2 (0.51) HAVCR2SMN1; SMN2MAPT
SCHEMBL11867822 0.65 HAVCR2 (0.70) HAVCR2AURKADAPK3JAK2PRKD3
Hydrochloric Acid SCHEMBL11869520 0.64 HAVCR2 (0.68) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL7494135 0.63 HAVCR2 (0.72) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL11869509 0.62 HAVCR2 (0.57) HAVCR2AURKADAPK3JAK2PRKD3
SCHEMBL24298263 0.62 HTR2C (0.33) KDM4ECYP1A2

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-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed