SCHEMBL17387396

SCHEMBL17387396

O=C(Nc1ccccc1)c1cnn2ccc(NCC3CCNCC3)nc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 10/20 0.68
▸ PIM3 Q86V86 9/20 0.68
▸ PIM1 P11309 7/20 0.68
▸ RET P07949 1/20 0.50
▸ IRAK4 Q9NWZ3 6/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ CHEK1 O14757 1/20 0.49

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
SCHEMBL406176 0.90 IRAK4 (0.56) PIM2PIM3PIM1IRAK4
SCHEMBL400691 0.90 IRAK4 (0.56) PIM2PIM3PIM1IRAK4
SCHEMBL402152 0.89 PIM2 (0.54) PIM2PIM3PIM1IRAK4FLT3
SCHEMBL16474229 0.83 PIM3 (0.61) PIM2PIM3PIM1RETIRAK4
SCHEMBL406767 0.82 CHEK1 (0.51) PIM2PIM3PIM1FLT3CHEK1
SCHEMBL405724 0.81 IRAK4 (0.49) PIM2PIM3PIM1IRAK4FLT3
SCHEMBL405250 0.80 IRAK4 (0.50) PIM2PIM3PIM1IRAK4
SCHEMBL21996801 0.80 PIM1 (0.56) PIM2PIM3PIM1RETIRAK4
SCHEMBL406018 0.79 PIM1 (0.54) PIM2PIM3PIM1RETIRAK4
SCHEMBL405871 0.79 PIM1 (0.54) PIM2PIM3PIM1RETIRAK4

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-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
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