SCHEMBL27368425

SCHEMBL27368425

Cc1cc(-n2ccnc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP19A1 P11511 3/20 0.50
IDO1 P14902 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP2A6 P11509 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL950968 0.79 CYP3A4 (0.52) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL21863400 0.79 UHRF1 (0.46) CYP2A6CYP1A2CYP2C9KMT2AUHRF1
SCHEMBL5861792 0.79 UHRF1 (0.46) MAPTCYP2A6MEN1KMT2AUHRF1
SCHEMBL4708730 0.78 IDO1 (0.59) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL26815031 0.77 CYP11B1 (0.50) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL12117429 0.76 CYP11B1 (0.56) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL872242 0.74 IDO1 (0.64) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL19296052 0.74 CYP3A4 (0.59) CYP3A4CYP11B1CYP11B2CYP19A1NCOA3
SCHEMBL14489499 0.74 IDO1 (0.75) CYP3A4CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL26548539 0.74 HRH4 (0.47) CYP3A4CYP11B1CYP11B2CYP19A1IDO1

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-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed