SCHEMBL25899017

SCHEMBL25899017

CNc1ncc(C)c2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
HTT P42858 2/20 0.37
PTK2 Q05397 1/20 0.37
YTHDC1 Q96MU7 2/20 0.36
YTHDF2 Q9Y5A9 2/20 0.36
HTR2C P28335 1/20 0.35
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
XDH P47989 2/20 0.32
RET P07949 1/20 0.32
PI4KA P42356 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL25319103 0.80 PDPK1 (0.51) PDPK1HTR2CALDH1A1CHEK1AURKA
SCHEMBL25899116 0.76 HTT (0.42) PDPK1HTTPTK2MAPTALDH1A1
Hydrazine SCHEMBL25324818 0.76 PDPK1 (0.51) PDPK1HTR2CCYP1A2ALDH1A1CHEK1
SCHEMBL15669999 0.75 HTT (0.41) PDPK1HTTPTK2CYP3A4MAPT
SCHEMBL25898919 0.73 RET (0.47) PDPK1HTTPTK2CYP1A2MAPT
SCHEMBL25669076 0.70 HTT (0.37) PDPK1HTTPTK2MAPTALDH1A1
SCHEMBL10094590 0.69 PDPK1 (1.00) PDPK1PTK2CYP1A2ALDH1A1CHEK1
SCHEMBL25049606 0.68 KDM4E (0.42) CYP1A2CYP3A4MAPTALDH1A1LRRK2
SCHEMBL6127809 0.67 MAPT (0.48) HTTPTK2CYP1A2MAPTALDH1A1
SCHEMBL25003204 0.67 CYP1A2 (0.45) PDPK1CYP1A2CYP3A4CYP2D6ALDH1A1

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
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed