SCHEMBL4473250

SCHEMBL4473250

CC1=CC(N)(c2cc(C3CC3)[nH]n2)NC(N)=N1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL4464264 0.76
SCHEMBL4459796 0.76 HCAR2 (0.35) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL4473245 0.72 HCAR2 (0.35) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL31471880 0.68 CCNA2 (0.33) HCAR2CCNA2CDK2CCNA1
SCHEMBL255129 0.62
SCHEMBL56939 0.62
Hydrochloric Acid SCHEMBL17107724 0.61 HCAR2 (0.48) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL14722726 0.60 MKNK1 (0.35) HCAR2HCAR3CCNA2CDK2CCNA1
SCHEMBL31471939 0.60 CCNA2 (0.33) CCNA2CDK2CCNA1
SCHEMBL4458639 0.59 HCAR2 (0.34) HCAR2HCAR3CCNA2CDK2CCNA1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed