SCHEMBL30607683

SCHEMBL30607683

COC1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ DRD2 P14416 5/20 0.53
▸ HTR2A P28223 4/20 0.52
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ HSD11B1 P28845 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ PANK3 Q9H999 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44

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
SCHEMBL19011668 0.87 KDM4E (0.66) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL3291180 0.82 KDM4E (0.67) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL6697752 0.81 KDM4E (0.69) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL30607573 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLDRD2
Hydrochloric Acid SCHEMBL5223467 0.80 KDM4E (0.67) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL15831803 0.79 HRH4 (0.57) KDM4EALDH1A1MAPTRECQLTDP1
SCHEMBL565864 0.79 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL3287137 0.79 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL12093608 0.78 HRH3 (0.57) DRD4
SCHEMBL22598170 0.78 GRIN2D (0.48) MALT1

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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