SCHEMBL30331886

SCHEMBL30331886

CC(C)(C)n1cc(-c2ncccc2C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.45
▸ KDM5B Q9UGL1 4/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM5C P41229 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ ELANE P08246 4/20 0.37
▸ TBK1 Q9UHD2 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ METAP2 P50579 2/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35

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
SCHEMBL30332524 0.79 CCNT1 (0.47) CNR2TRPV1GABRA1GABRG2GABRB3
SCHEMBL30332210 0.78 PDK2 (0.48) KDM5BKDM5AKDM5CKDM4CGABRA1
SCHEMBL30332252 0.75 DPP4 (0.41) KDM5BTRPV1PDK2
SCHEMBL30332259 0.74 JAK2 (0.45) CNR2HDAC1PDK2
SCHEMBL3289673 0.73 L3MBTL1 (0.56) CNR2KDM5B
SCHEMBL10360879 0.72 TRPV1 (0.70) CNR2TRPV1HDAC1
SCHEMBL30332361 0.71 TRPV1 (0.39) CNR2TRPV1GABRA1GABRG2GABRB3
SCHEMBL31267979 0.71 CNR2 (0.49) CNR2TRPV1HDAC1KDM4D
SCHEMBL30935805 0.70 CNR2 (0.41) CNR2TRPV1GABRA1GABRG2GABRB3
SCHEMBL29768457 0.70 HDAC1 (0.51) CNR2TRPV1HDAC1

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-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
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