SCHEMBL27397992

SCHEMBL27397992

Cc1ccc2[nH]ncc2c1-c1c(N)c(C(N)=O)cc2nccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.46
PKMYT1 Q99640 2/20 0.42
WEE1 P30291 1/20 0.42
MAP4K1 Q92918 4/20 0.40
TEC P42680 3/20 0.40
BMX P51813 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
LYN P07948 2/20 0.39
SRC P12931 2/20 0.39
ITK Q08881 2/20 0.39
LCK P06239 1/20 0.39
HCK P08631 1/20 0.39
FGR P09769 1/20 0.39
FRK P42685 1/20 0.39
BLK P51451 1/20 0.39
LIMK1 P53667 1/20 0.39
ACVR1 Q04771 1/20 0.39
TNK2 Q07912 1/20 0.39

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
SCHEMBL30905514 1.00 BTK (0.46) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27398539 0.88 CDK2 (0.39) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27398542 0.87 BTK (0.47) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27397964 0.86 BTK (0.42) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27399595 0.86 BTK (0.41) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27398541 0.85 BTK (0.49) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL27398143 0.83 BTK (0.48) BTKPKMYT1WEE1TECBMX
SCHEMBL27400650 0.80 PARP1 (0.43) BTKPKMYT1CDK2ITKLCK
SCHEMBL27397958 0.79 BTK (0.43) BTKPKMYT1WEE1MAP4K1TEC
SCHEMBL30905592 0.78 WEE1 (0.48) BTKPKMYT1WEE1MAP4K1TEC

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-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO disclosed