SCHEMBL25529009

SCHEMBL25529009

Cc1nn(C)c(C)c1-c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CDK8 P49336 1/20 0.47
ACVR1 Q04771 1/20 0.47
HTR7 P34969 2/20 0.44
KEAP1 Q14145 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HTR1A P08908 1/20 0.43
BRD4 O60885 3/20 0.41
CREBBP Q92793 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL12944870 0.84 MAPT (0.47) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL10176300 0.81 HTR7 (0.43) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL12362814 0.81 HTR7 (0.51) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL20320421 0.80 MAPT (0.67) MAPTCDK8ACVR1HTR7HTR1A
SCHEMBL25528557 0.79 MAPT (0.40) MAPTCDK8ACVR1KEAP1NPC1
SCHEMBL4021817 0.79 MAPT (0.44) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL29980120 0.79 HTR7 (0.56) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL27088353 0.79 HTR7 (0.56) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL30231192 0.79 MAPT (0.44) MAPTCDK8ACVR1HTR7PRMT5
SCHEMBL10145036 0.78 HTR7 (0.43) MAPTCDK8ACVR1HTR7PRMT5

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
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed