SCHEMBL30607648

SCHEMBL30607648

N#Cc1cccnc1N1CCC(C(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.61
▸ RECQL P46063 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ DRD2 P14416 5/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ MALT1 Q9UDY8 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ PANK3 Q9H999 1/20 0.45
▸ DRD4 P21917 2/20 0.44
▸ LDHA P00338 1/20 0.44
▸ LCAT P04180 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 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
SCHEMBL3291180 0.85 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL6697752 0.81 KDM4E (0.69) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3287870 0.81 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
Hydrochloric Acid SCHEMBL5223467 0.80 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL19011668 0.79 KDM4E (0.66) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL565864 0.79 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3287137 0.79 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL30607573 0.78 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL30607683 0.78 KDM4E (0.61) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL6822065 0.77 KDM4E (0.59) KDM4ERECQLALDH1A1MAPTDRD2

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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