SCHEMBL26604103

SCHEMBL26604103

OC1CCC(Nc2nc(Cl)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
BRAF P15056 1/20 0.53
CCNT1 O60563 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.47
PIK3CA P42336 2/20 0.44
FLT3 P36888 4/20 0.43
TYRO3 Q06418 2/20 0.43
MERTK Q12866 2/20 0.43
GAS6 Q14393 2/20 0.43
GSK3B P49841 3/20 0.43
MAPK8 P45983 2/20 0.43
CDC7 O00311 2/20 0.43
DAPK3 O43293 2/20 0.43
JAK2 O60674 2/20 0.43
PRKD3 O94806 2/20 0.43
PAK4 O96013 2/20 0.43
PIM1 P11309 2/20 0.43

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
SCHEMBL23274765 0.93 RAF1 (0.51) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL23275149 0.93 RAF1 (0.51) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL26604092 0.93 RAF1 (0.51) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL23274764 0.93 RAF1 (0.51) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL30605621 0.90 CCNT1 (0.47) RAF1BRAFCCNT1FLT3GSK3B
SCHEMBL26604157 0.89 MAPK8 (0.43) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL26604154 0.89 RAF1 (0.54) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL30605604 0.89 RAF1 (0.54) RAF1BRAFCCNT1CYP1A2CYP2D6
SCHEMBL26604142 0.87 MAPK8 (0.52) RAF1BRAFCCNT1FLT3TYRO3
SCHEMBL26604167 0.85 HRH4 (0.57) CCNT1FLT3TYRO3MERTKGAS6

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-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 WO disclosed