SCHEMBL7476832

SCHEMBL7476832

CN1CCN(c2ccc(Nc3nccc(-c4ccncc4)n3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.72
IKBKB O14920 1/20 0.64
CHUK O15111 1/20 0.64
CDK2 P24941 2/20 0.64
CCNE1 P24864 1/20 0.64
JAK3 P52333 2/20 0.63
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
STK17A Q9UEE5 1/20 0.61
CDK4 P11802 5/20 0.60
KDR P35968 4/20 0.60
GSK3B P49841 1/20 0.60
ACVR1 Q04771 1/20 0.57
MAPK1 P28482 1/20 0.56
MAP2K1 Q02750 1/20 0.56

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
SCHEMBL15212479 0.90 JAK2 (0.76) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL7465716 0.87 ACVR1 (0.70) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL4383450 0.84 JAK2 (1.00) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL10346581 0.84 JAK2 (0.70) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL3518573 0.83 JAK2 (0.79) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL660308 0.83 JAK2 (0.69) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL13555628 0.83 JAK2 (0.72) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL10192774 0.83 JAK2 (0.69) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL23276819 0.82 JAK2 (0.66) JAK2IKBKBCHUKCDK2CCNE1
SCHEMBL7469627 0.82 CDK2 (0.64) JAK2IKBKBCHUKCDK2CCNE1

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed