SCHEMBL12423670

SCHEMBL12423670

CCCC1CCN(Cc2cccc(Nc3nccc(-c4ccc(C(=O)N[C@H](S)c5ccccc5)s4)n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK3 P52333 4/20 0.46
AKT3 Q9Y243 2/20 0.41
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
SYK P43405 1/20 0.39
ACVR1 Q04771 1/20 0.39
IGF1R P08069 2/20 0.39
FAAH O00519 1/20 0.38
ACKR3 P25106 1/20 0.37
CCR3 P51677 1/20 0.37
IKBKB O14920 1/20 0.37
ACP1 P24666 1/20 0.37
GSK3B P49841 2/20 0.37

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
SCHEMBL12423677 0.94 JAK2 (0.45) JAK2JAK3AKT3BCHEACHE
SCHEMBL12423683 0.91 JAK2 (0.54) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423669 0.89 JAK2 (0.53) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154242 0.88 JAK2 (0.46) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423671 0.86 JAK2 (0.45) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423766 0.84 JAK2 (0.56) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154245 0.81 JAK2 (0.53) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154295 0.81 JAK2 (0.51) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL12423747 0.80 JAK2 (0.46) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154243 0.79 JAK2 (0.57) JAK2JAK3AKT3ABL1PDGFRB

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
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed