SCHEMBL28106523

SCHEMBL28106523

CN(C)c1ccnc(N2CCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.43
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ ADRB1 P08588 1/20 0.37

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
SCHEMBL3110457 0.85 PIK3CA (0.50) ACHECCNT1CCNA2CDK2CDK9
SCHEMBL30600608 0.82 SUV39H2 (0.38) ACHESUV39H2ADRB1
SCHEMBL26684341 0.81 ACHE (0.55) ACHESUV39H2
SCHEMBL7904079 0.76 SORD (0.55) ACHEGBA1
SCHEMBL18228454 0.76 SORD (0.55) ACHEGBA1
SCHEMBL12597157 0.74 KDM4E (0.55) ACHE
SCHEMBL8549105 0.73 GBA1 (0.56) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL18228033 0.73 ACHE (0.47) ACHEDYRK1ACCNT1CCNA2CDK2
Hydrochloric Acid SCHEMBL10504874 0.73 KDM4E (0.53) ACHE
SCHEMBL13806030 0.72 SORD (0.55) —

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
CN-104470924-B Imidazopyrazines derivant as TNF active regulator UCB生物制药私人有限公司 2016-11-09 — — CN disclosed
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