SCHEMBL26070993

SCHEMBL26070993

CC1CCC(COc2cccc(-c3nn[nH]c3N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.44
LRRK2 Q5S007 1/20 0.43
BACE1 P56817 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
EP300 Q09472 1/20 0.38
KDM1A O60341 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL26071006 0.86 CYP2D6 (0.42) IGF1RLRRK2BACE1NOS3NOS1
SCHEMBL18006383 0.85 KDM1A (0.43) IGF1RLRRK2EP300KDM1ANR1H4
SCHEMBL18003506 0.79 LRRK2 (0.43) IGF1RLRRK2EP300KDM1ANR1H4
SCHEMBL26070907 0.77 NFE2L2 (0.47) IGF1R
SCHEMBL26070898 0.76 BTK (0.49)
SCHEMBL18003498 0.74 IGF1R (0.46) IGF1RLRRK2KDM1A
SCHEMBL26070953 0.73 IGF1R (0.47) IGF1RFFAR4
SCHEMBL26070997 0.73 KDM4E (0.40) IGF1R
SCHEMBL26070900 0.73 GAA (0.37)
SCHEMBL18734457 0.73 NR1H4 (0.45) LRRK2BACE1NR1H4FFAR4

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed