SCHEMBL16494901

SCHEMBL16494901

Cc1cc(NCc2ccc3[nH]c(C)nc3c2)nc(Nc2cccc3c2CC(=O)N3)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.37
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 8/20 0.33
▸ MAPT P10636 6/20 0.33
▸ HTT P42858 6/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ SLC2A1 P11166 2/20 0.32
▸ DHPS P49366 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ BCL6 P41182 1/20 0.31

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
SCHEMBL16495140 0.89 JAK2 (0.47) JAK2BCL6GSK3AGSK3B
SCHEMBL16495005 0.87 JAK2 (0.39) JAK2KCNH2LMNAMAPTHTT
SCHEMBL16494733 0.85 JAK2 (0.38) JAK2KCNH2LMNAMAPTHTT
SCHEMBL16495120 0.85 KDR (0.39) JAK2KCNH2MAPK1GSK3AGSK3B
SCHEMBL16494622 0.84 JAK2 (0.38) JAK2KCNH2LMNAMAPTHTT
SCHEMBL16494695 0.76 JAK2 (0.48) JAK2LMNAMAPTHTTSMN1; SMN2
SCHEMBL16494256 0.75 JAK2 (0.47) JAK2BCL6GSK3B
SCHEMBL16494830 0.72 JAK2 (0.47) JAK2GSK3B
SCHEMBL16494276 0.72 JAK2 (0.47) JAK2MAPK1IGF1RGSK3AGSK3B
SCHEMBL16494405 0.71 JAK2 (0.48) JAK2GSK3B

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
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 — — EP disclosed
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