SCHEMBL8337451

SCHEMBL8337451

COCCOCn1nc2c3c(cccc31)C(=O)c1c(N)cccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 12/20 0.45
▸ MAPK13 O15264 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ADORA2A P29274 2/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32

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
SCHEMBL8336811 0.87 TOP2A (0.45) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8172006 0.85 EIF2AK2 (0.54) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8336928 0.85 ADORA2A (0.42) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8340204 0.83 TOP2A (0.41) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8340182 0.76 MAOA (0.38) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8338787 0.73 POLB (0.39) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL10812034 0.66 ADORA2A (0.51) ADORA2ARAB9AATMNPC1MEN1
SCHEMBL13959447 0.65 TOP2A (0.63) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL13959446 0.65 TOP2A (0.76) TOP2AMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL8176664 0.64 EIF2AK2 (0.66) TOP2AMAPK13EIF2AK2MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 — — US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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