SCHEMBL28277239

SCHEMBL28277239

Cc1ccccc1-c1cc2cccnc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 16/20 0.68
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
IGF1R P08069 1/20 0.48
NPY5R Q15761 1/20 0.48

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
SCHEMBL31064965 0.81 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL2997190 0.81 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL27889519 0.80 CCNB2 (0.68) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29460546 0.79 RIPK1 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3009852 0.79 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL27158570 0.79 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3
SCHEMBL20470633 0.79 ADORA2A (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL28300252 0.77 RIPK1 (0.62) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31160487 0.77 RIPK1 (0.55) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL7713633 0.77 RIPK1 (0.58) RIPK1CCNB2CDK1CCNB1CCNB3

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-109320512-A A kind of synthetic method of azaindole substituted aryl Ethyl formate compound 江苏理工学院 2019-02-12 CN disclosed