SCHEMBL30607643

SCHEMBL30607643

CN(C)C1CCC2(CC1)CCN(c1ncccc1C#N)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KCNJ1 P48048 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ DRD2 P14416 5/20 0.44
▸ HTR2A P28223 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ GRM1 Q13255 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41

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
SCHEMBL30607573 0.87 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL30607636 0.82 ALDH1A1 (0.54) KDM4ERECQLALDH1A1MAPTKCNJ1
SCHEMBL30607671 0.80 KDM4E (0.55) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL26111523 0.80 KDM4E (0.55) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL30607634 0.79 KIF18A (0.38) ALDH1A1
SCHEMBL3291338 0.75 KDM4E (0.54) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL29609043 0.75 KDM4E (0.54) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL3291180 0.74 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL2750963 0.73 KDM4E (0.58) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL565864 0.73 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTHSD11B1

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-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 — — WO disclosed
Send feedback