SCHEMBL27398652

SCHEMBL27398652

Cc1cnc2cc(C(N)=O)c(N)c(-c3c(C)ccc(O)c3C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 19/20 0.48
WEE1 P30291 4/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
FGR P09769 1/20 0.40
SRC P12931 1/20 0.40
EPHA1 P21709 1/20 0.40
EPHB2 P29323 1/20 0.40
ABL2 P42684 1/20 0.40
BLK P51451 1/20 0.40
EPHB4 P54760 1/20 0.40
EPHB1 P54762 1/20 0.40
TNK2 Q07912 1/20 0.40
DDR1 Q08345 1/20 0.40
PTK6 Q13882 1/20 0.40
CYP2C9 P11712 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
EPHB3 P54753 1/20 0.36

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
SCHEMBL27399345 0.91 PKMYT1 (0.47) PKMYT1WEE1LCKLYNHCK
SCHEMBL30905518 0.84 PKMYT1 (0.53) PKMYT1WEE1LCKLYNHCK
SCHEMBL27397994 0.84 PKMYT1 (0.53) PKMYT1WEE1LCKLYNHCK
SCHEMBL27398056 0.84 PKMYT1 (0.50) PKMYT1WEE1LCKLYNHCK
SCHEMBL30905487 0.84 PKMYT1 (0.50) PKMYT1WEE1LCKLYNHCK
SCHEMBL27398537 0.84 PKMYT1 (0.40) PKMYT1WEE1PARP1CDK1
SCHEMBL30905507 0.79 PKMYT1 (0.43) PKMYT1WEE1LCKLYNHCK
SCHEMBL27398085 0.79 PKMYT1 (0.43) PKMYT1WEE1LCKLYNHCK
SCHEMBL27398836 0.78 PKMYT1 (0.49) PKMYT1WEE1LCKLYNHCK
SCHEMBL30905599 0.78 PKMYT1 (0.54) PKMYT1WEE1LCKLYNHCK

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