SCHEMBL12423656

SCHEMBL12423656

OCCN1CCN(Cc2cccc(Nc3nccc(-c4ccc(Br)s4)n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.51
JAK3 P52333 4/20 0.51
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
SYK P43405 2/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
PLK4 O00444 1/20 0.43
ACVR1 Q04771 2/20 0.42
AIMP2 Q13155 1/20 0.41
GSK3B P49841 1/20 0.41
IGF1R P08069 2/20 0.40
IKBKB O14920 2/20 0.40
CSF1R P07333 1/20 0.40
TYK2 P29597 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40

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
SCHEMBL13154294 0.91 JAK2 (0.54) JAK2JAK3ABL1BCRSYK
SCHEMBL12423655 0.91 JAK2 (0.62) JAK2JAK3ABL1BCRSYK
SCHEMBL12423135 0.89 JAK2 (0.58) JAK2JAK3ABL1BCRSYK
SCHEMBL12423657 0.88 JAK2 (0.51) JAK2JAK3ABL1BCRSYK
SCHEMBL12423654 0.87 JAK2 (0.52) JAK2JAK3ABL1BCRSYK
SCHEMBL12423636 0.87 JAK2 (0.62) JAK2JAK3ABL1BCRSYK
SCHEMBL12423649 0.87 JAK2 (0.50) JAK2JAK3ABL1BCRPLK4
SCHEMBL12423160 0.87 JAK2 (0.61) JAK2JAK3ABL1BCRSYK
SCHEMBL14100240 0.86 JAK2 (0.51) JAK2JAK3ABL1BCRSYK
SCHEMBL13154290 0.85 JAK2 (0.53) JAK2JAK3ABL1BCRSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed