SCHEMBL27399595

SCHEMBL27399595

Cc1cnc2[nH]ncc2c1-c1c(N)c(C(N)=O)cc2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.41
JAK3 P52333 1/20 0.38
TEC P42680 3/20 0.35
BMX P51813 2/20 0.35
SRC P12931 2/20 0.35
ITK Q08881 2/20 0.35
LYN P07948 2/20 0.35
LCK P06239 1/20 0.35
HCK P08631 1/20 0.35
FGR P09769 1/20 0.35
FRK P42685 1/20 0.35
BLK P51451 1/20 0.35
LIMK1 P53667 1/20 0.35
ACVR1 Q04771 1/20 0.35
TNK2 Q07912 1/20 0.35
PAK1 Q13153 2/20 0.32
PIM1 P11309 1/20 0.32
NNMT P40261 2/20 0.32
FYN P06241 1/20 0.32
PKMYT1 Q99640 2/20 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
SCHEMBL27397992 0.86 BTK (0.46) BTKTECBMXSRCITK
SCHEMBL30905514 0.86 BTK (0.46) BTKTECBMXSRCITK
SCHEMBL27399023 0.81 BTK (0.39) BTKTECSRCITKPIM1
SCHEMBL27400650 0.76 PARP1 (0.43) BTKJAK3ITKLCKFRK
SCHEMBL27398539 0.76 CDK2 (0.39) BTKTECBMXSRCITK
SCHEMBL27398143 0.74 BTK (0.48) BTKJAK3TECBMXSRC
SCHEMBL27398542 0.73 BTK (0.47) BTKTECBMXSRCITK
SCHEMBL27397994 0.72 PKMYT1 (0.53) SRCLYNLCKHCKFGR
SCHEMBL30905518 0.72 PKMYT1 (0.53) SRCLYNLCKHCKFGR
SCHEMBL27398835 0.71 BTK (0.39) BTKTECSRCITKLYN

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