SCHEMBL27367073

SCHEMBL27367073

Nc1ccc(C2=NNNN2)cc1NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 11/20 0.33
PRKCZ Q05513 5/20 0.33
PRKD2 Q9BZL6 3/20 0.33
HDAC2 Q92769 8/20 0.32
HDAC3 O15379 5/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
TGFBR1 P36897 1/20 0.31
ROCK1 Q13464 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL27276581 0.72 KDM4E (0.47) KDM4EGAAMAPTHDAC1PRKCZ
SCHEMBL27276191 0.71 MAPT (0.49) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL30734264 0.71 KDM4E (0.40) KDM4EGAAMAPTHDAC1HDAC2
SCHEMBL27275209 0.68 KDM4E (0.37) KDM4EGAAMAPTHDAC1PRKCZ
SCHEMBL27276326 0.67 KDM4E (0.51) KDM4EGAAMAPTALOX15
SCHEMBL17678177 0.67 MAPT (0.51) KDM4EGAAMAPTHDAC1ALOX15
SCHEMBL20349191 0.67 MAPT (0.51) KDM4EGAAMAPTHDAC1HDAC2
SCHEMBL11964427 0.67 GAA (0.51) KDM4EGAAMAPTHDAC1HDAC2
SCHEMBL20837294 0.66 MAPT (0.62) KDM4EGAAMAPTALOX15
SCHEMBL2514778 0.64 MAPT (0.56) KDM4EGAAMAPTHDAC1ALOX15

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-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed