SCHEMBL8320064

SCHEMBL8320064

[O-][S+](c1ccccc1)n1cc(-c2c[nH]c3ncc(-c4ccc(OC(F)(F)F)cc4)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ AXL P30530 8/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ TNIK Q9UKE5 1/20 0.47
▸ SGK1 O00141 5/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ KIT P10721 1/20 0.43
▸ ALK Q9UM73 2/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL8323355 0.81 CAMKK2 (0.61) AXLCDK8TNIKCAMKK2KIT
SCHEMBL8321970 0.79 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9AXL
SCHEMBL12829496 0.74 MAPK8 (0.64) CCNT1CCNA2CDK2CDK9AXL
SCHEMBL8321974 0.74 PDPK1 (0.45) AXLCDK8TNIKSGK1KIT
SCHEMBL8321210 0.73 CAMKK2 (0.70) CCNT1CCNA2CDK2CDK9AXL
SCHEMBL8317029 0.72 MAPK8 (0.56) AXLCDK8TNIKSGK1KIT
SCHEMBL12829466 0.72 MAPK8 (0.51) AXLCDK8TNIKSGK1KIT
SCHEMBL13745275 0.72 CDK8 (0.67) CCNT1CCNA2CDK2CDK9AXL
SCHEMBL12763316 0.71 DYRK1A (0.57) CCNT1CCNA2CDK2CDK9AXL
SCHEMBL12829517 0.70 MAPK8 (0.52) AXLCDK8TNIKSGK1CAMKK2

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
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 — — WO disclosed
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