SCHEMBL31056362

SCHEMBL31056362

Cc1cc(Br)cc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.38
CHEK1 O14757 2/20 0.37
PIM1 P11309 2/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
PARP1 P09874 4/20 0.33
RPS6KA3 P51812 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2418830 1.00 NQO2 (0.38) NQO2CHEK1PIM1AKT1FLT3
SCHEMBL8404371 0.79 PARP1 (0.43) CHEK1PIM1MEN1KMT2APARP1
SCHEMBL24224423 0.77 ADRA2A (0.37) CHEK1PIM1HTR1DHTR1BPARP1
SCHEMBL30140704 0.76 CHEK1 (0.37) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL18554387 0.76 MAPT (0.39) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL23749628 0.76 CHEK1 (0.37) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL2411729 0.76 MAPT (0.39) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL29260807 0.76 ALDH1A1 (0.41) CHEK1PIM1RAB9ACSNK2A1PARP1
SCHEMBL29260806 0.76 ALDH1A1 (0.41) CHEK1PIM1RAB9ACSNK2A1PARP1
SCHEMBL7090538 0.76 PRKCI (0.41) CHEK1PIM1PARP1RPS6KA3ALDH1A1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed