SCHEMBL26604115

SCHEMBL26604115

Oc1ccc(Nc2nc(Cl)cc(N3CCOCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
PTGS2 P35354 2/20 0.51
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
PKMYT1 Q99640 1/20 0.47
SMG1 Q96Q15 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GBA1 P04062 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL28085087 0.90 MAPT (0.63) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL23321223 0.87 LMNA (0.64) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL26604082 0.86 KMT2A (0.68) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL21313535 0.86 MAPT (0.52) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL13632492 0.86 MAPT (0.49) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL28057244 0.85 MAPT (0.51) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL1028449 0.80 CHEK1 (0.53) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL9645141 0.77 AURKA (0.53) MAPTPTGS2MAPK1KMT2ASMN1; SMN2
SCHEMBL14804579 0.76 CYP1A2 (0.60) RAF1BRAFMAPTCYP1A2CYP2D6
SCHEMBL21313483 0.76 MAPT (0.50) RAF1BRAFMAPTCYP1A2CYP2D6

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