SCHEMBL24377585

SCHEMBL24377585

CNc1cn2cnccc2n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 6/20 0.34
RET P07949 2/20 0.34
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
ITK Q08881 2/20 0.34
MERTK Q12866 2/20 0.34
PRKAA1 Q13131 2/20 0.34
ROCK1 Q13464 2/20 0.34
MAP3K6 O95382 2/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
APP P05067 1/20 0.32
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.30
LRRK2 Q5S007 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL2122234 0.75 DYRK1A (0.42) MAPTBRD4
SCHEMBL24834491 0.73 NPC1 (0.52) MAP3K5APPMAPT
SCHEMBL758877 0.72 PTGS1 (0.47) MAPT
Hydrochloric Acid SCHEMBL28842904 0.72 NPC1 (0.50) MAP3K5CSNK1DCSNK1G2APPMAPT
SCHEMBL10807238 0.72 MAPT (0.37) APPMAPT
SCHEMBL30170384 0.71 PIK3CG (0.50) RETMAPT
SCHEMBL18782728 0.71 HDAC8 (0.32)
SCHEMBL3030493 0.71
SCHEMBL12335783 0.70 KDM4E (0.36) MAPT
SCHEMBL25150638 0.70 APP (0.32) APP

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-2022086986-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2022-04-28 WO disclosed