SCHEMBL24355256

SCHEMBL24355256

O=C1Cc2c(I)cc(C(F)(F)F)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.44
CDK5 Q00535 7/20 0.44
CDK5R1 Q15078 7/20 0.44
CCNB2 O95067 5/20 0.44
CDK1 P06493 5/20 0.44
CCNB1 P14635 5/20 0.44
CCNB3 Q8WWL7 5/20 0.44
KIF11 P52732 6/20 0.40
TDP2 O95551 2/20 0.40
GSK3A P49840 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 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
SCHEMBL9834730 0.81 GSK3B (0.42) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL6179151 0.73 GSK3B (0.41) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL31734651 0.70 TDP2 (0.54) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL3224720 0.69 TDP2 (0.66) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL6179642 0.68 CES1 (0.41) TDP2MEN1KMT2A
SCHEMBL5502802 0.67 MAPT (0.43) GSK3BCDK5CDK5R1KIF11TDP2
SCHEMBL496908 0.67 CA9 (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL6218249 0.67 KMT2A (0.33) MEN1KMT2A
SCHEMBL25424253 0.67 TDP2 (0.58) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL10129810 0.67 POLB (0.37) GSK3BCDK5CDK5R1CCNB2CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234548-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2023-08-30 EP disclosed
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 WO disclosed