SCHEMBL26650593

SCHEMBL26650593

Nc1cc2ccncc2c(N2CCC(F)(F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
GRM4 Q14833 2/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MAOB P27338 5/20 0.36
WHR1 P49842 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PRMT3 O60678 1/20 0.35
PRKD1 Q15139 2/20 0.35
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34

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
SCHEMBL30748617 1.00 GSK3A (0.39) GSK3AGSK3BKDM4EPOLBHTT
SCHEMBL31373518 0.81 GSK3A (0.43) GSK3AGSK3BKDM4EHTTWHR1
SCHEMBL26650750 0.81 GSK3A (0.43) GSK3AGSK3BKDM4EHTTWHR1
SCHEMBL30748602 0.80 GRM4 (0.44) GSK3AGSK3BGRM4MAOBCNR2
SCHEMBL31373516 0.74 ELANE (0.39) GSK3AGSK3BWHR1PRMT3CNR2
SCHEMBL26650961 0.74 ELANE (0.39) GSK3AGSK3BWHR1PRMT3CNR2
SCHEMBL26650487 0.73 GRM4 (0.43) GRM4NOS3NOS1NOS2PIK3CA
SCHEMBL31299059 0.71 NOS3 (0.37) NOS3NOS1NOS2PIK3CAMTOR
SCHEMBL30748646 0.70 NOS3 (0.36) GRM4NOS3NOS1NOS2MAOB
SCHEMBL26650968 0.70 NOS3 (0.36) GRM4NOS3NOS1NOS2MAOB

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-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed