SCHEMBL28061258

SCHEMBL28061258

O=C(c1ncnc2[nH]ccc12)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.56
JAK3 P52333 8/20 0.51
KIT P10721 3/20 0.51
AKT1 P31749 3/20 0.44
SIGMAR1 Q99720 1/20 0.42
JAK1 P23458 2/20 0.41
NOTUM Q6P988 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
AKT2 P31751 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL28812137 0.75 JAK3 (0.60) JAK3NOTUMGSK3B
SCHEMBL14708323 0.75 JAK3 (0.78) HTR2CJAK3KITNOTUMAKT2
Hydrochloric Acid SCHEMBL17350142 0.74 JAK3 (0.76) HTR2CJAK3KITNOTUMAKT2
SCHEMBL3491733 0.74 JAK3 (0.59) JAK3NOTUM
Hydrochloric Acid SCHEMBL27966051 0.74 JAK3 (0.59) JAK3NOTUMGSK3B
SCHEMBL2606612 0.74 JAK3 (0.59) JAK3NOTUMGSK3B
Hydrochloric Acid SCHEMBL28120811 0.72 JAK3 (0.57) JAK3NOTUMGSK3B
SCHEMBL2251760 0.72 HTR2C (1.00) HTR2CJAK3KITAKT1HRH4
SCHEMBL3493875 0.71 JAK3 (0.56) JAK3NOTUM
SCHEMBL14697417 0.71 JAK3 (0.70) JAK3KITJAK1AKT2GSK3B

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-103732597-B Tricyclic heterocyclic compounds and JAK inhibitors 日产化学工业株式会社 2016-08-17 CN disclosed