SCHEMBL22012276

SCHEMBL22012276

CN(C)Cc1nc(N(C)C)cc2c1CNC2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.33
CSF1R P07333 1/20 0.33
PIM1 P11309 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CDK5 Q00535 2/20 0.32
ROCK1 Q13464 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
PHKG2 P15735 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
SCHEMBL21990591 0.86 GRM2 (0.33) MAP4K1CSF1RPIM1CSNK1A1CDK5
SCHEMBL21990473 0.85 PARP1 (0.31) MAP4K1CSF1RPARP1
SCHEMBL21990475 0.80 CSF1R (0.33) CSF1RPIM1CSNK1A1CDK5ROCK1
SCHEMBL30136111 0.80 CACNA1G (0.37)
SCHEMBL22012577 0.80 CACNA1G (0.37)
SCHEMBL21990474 0.76 MAPK1 (0.34) MAP4K1CSF1RPARP1
SCHEMBL21990672 0.74 MAP4K1 (0.46) MAP4K1PRKD2
SCHEMBL30227802 0.74 MAP4K1 (0.46) MAP4K1PRKD2
SCHEMBL21964196 0.74 MAP4K1 (0.33) MAP4K1
SCHEMBL21990455 0.73 MAP4K1 (0.36) MAP4K1PIM1CSNK1A1CDK5ROCK1

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-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 WO disclosed