SCHEMBL14050890

SCHEMBL14050890

Cc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 5/20 0.46
▸ CTNNB1 P35222 5/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ PDE4B Q07343 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ MAP3K12 Q12852 1/20 0.43
▸ TRPC3 Q13507 2/20 0.42
▸ TRPC7 Q9HCX4 2/20 0.42
▸ LCK P06239 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GRIN2B Q13224 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
SCHEMBL12953316 0.90 JAK2 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL12953214 0.89 JAK2 (0.45) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL14050953 0.88 JAK2 (0.44) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL14541612 0.81 TRPV3 (0.45) JAK2JAK1PDE4BUSP30
SCHEMBL14050894 0.81 AADAT (0.48) MEN1KMT2ANPSR1
SCHEMBL12953168 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AUSP30TRPC3
SCHEMBL13305223 0.78 TRPC3 (0.44) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL12953174 0.78 TRPC3 (0.52) SMN1; SMN2NPC1RAB9AUSP30TRPC3
SCHEMBL13490506 0.78 JAK2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2876671 0.77 ENPP2 (0.49) BCL9CTNNB1JAK2JAK1TYK2

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-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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