SCHEMBL30607671

SCHEMBL30607671

CN(C)[C@H]1CCN(c2ncccc2C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ JAK2 O60674 2/20 0.53
▸ JAK3 P52333 2/20 0.53
▸ ACKR3 P25106 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GRM1 Q13255 2/20 0.47
▸ PDE10A Q9Y233 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ DRD2 P14416 3/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SOS1 Q07889 1/20 0.42

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
SCHEMBL26111523 1.00 KDM4E (0.55) KDM4ERECQLJAK2JAK3ACKR3
SCHEMBL30607573 0.92 KDM4E (0.61) KDM4ERECQLJAK2JAK3ACKR3
SCHEMBL1514427 0.81 KDM4E (0.64) KDM4ERECQLJAK2JAK3ACKR3
SCHEMBL5615322 0.81 KDM4E (0.64) KDM4ERECQLJAK2JAK3ACKR3
SCHEMBL30607643 0.80 KDM4E (0.51) KDM4ERECQLALDH1A1MAPTGRM1
Hydrochloric Acid SCHEMBL1514615 0.80 KDM4E (0.62) KDM4ERECQLJAK2JAK3ACKR3
SCHEMBL3288371 0.80 KDM4E (0.62) KDM4ERECQLACKR3ALDH1A1MAPT
SCHEMBL29907658 0.79 CYP2D6 (0.47) JAK2JAK3GRM1PDE10AELANE
SCHEMBL3291180 0.77 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTHSD11B1
SCHEMBL3290456 0.77 KDM4E (0.58) KDM4ERECQLALDH1A1MAPTGRM1

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
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