SCHEMBL26604154

SCHEMBL26604154

OC1CC(Nc2nc(Cl)cc(N3CCOCC3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.54
BRAF P15056 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 3/20 0.48
CCNT1 O60563 1/20 0.40
PIK3CB P42338 3/20 0.37
CRHBP P24387 2/20 0.37
HTT P42858 2/20 0.37
CRHR2 Q13324 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CA P42336 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30605604 1.00 RAF1 (0.54) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL23274764 0.91 RAF1 (0.51) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL23274765 0.91 RAF1 (0.51) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL23275149 0.91 RAF1 (0.51) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL26604092 0.91 RAF1 (0.51) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL26604103 0.89 RAF1 (0.53) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL26604098 0.85 RAF1 (0.53) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL26604135 0.80 RAF1 (0.55) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL19686807 0.79 RAF1 (0.54) RAF1BRAFCYP1A2CYP2D6MAPT
SCHEMBL30605621 0.77 CCNT1 (0.47) RAF1BRAFCCNT1HRH4

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