SCHEMBL17827145

SCHEMBL17827145

N=c1cnc2[nH]ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.37
CDK2 P24941 2/20 0.36
IGF1R P08069 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
AXL P30530 4/20 0.35
PRKCI P41743 1/20 0.35
NUDT1 P36639 4/20 0.35
CDK8 P49336 1/20 0.34
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
RIPK1 Q13546 2/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL17226422 0.71 AXL (0.36) MAPK1CDK2IGF1RDYRK1BAXL
SCHEMBL1420949 0.66
SCHEMBL5041055 0.61
SCHEMBL5039593 0.61
SCHEMBL20670611 0.59 AURKA (0.38) MAPK1AXLPRKCICDK8CCNK
SCHEMBL5041516 0.59 KDM4C (0.39) AXLNUDT1FGFR1KDR
SCHEMBL294108 0.58 CDK8 (0.55) MAPK1CDK2DYRK1BAXLNUDT1
SCHEMBL2240671 0.58 AURKB (0.71) CDK2IGF1RDYRK1BAXLPRKCI
SCHEMBL24242846 0.57 AURKA (0.36) MAPK1AXLPRKCICDK8JAK2
SCHEMBL2316792 0.57 JAK2 (0.45) CDK2DYRK1BAXLPRKCICDK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed