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Sugi Predict / Compounds / SCHEMBL20336237

SCHEMBL20336237

SCHEMBL20336237

CC(=O)N1CCN(c2ccc(Nc3nc(NCC4CCNCC4)c4c(-c5ccncc5)c[nH]c4n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3nc(NCC4CCNCC4)c4c(C#N)c[nH]c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.48
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ MNAT1 P51948 1/20 0.44
▸ ITK Q08881 10/20 0.44
▸ EGFR P00533 8/20 0.44
▸ JAK3 P52333 8/20 0.44
▸ BTK Q06187 8/20 0.44
▸ BLK P51451 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 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
SCHEMBL4383008 0.94 SYK (0.53) SYKCDK1CCNB1FLT3ITK
SCHEMBL20336236 0.93 SYK (0.43) SYKCDK1CCNB1FLT3CDK7
SCHEMBL1018817 0.93 SYK (0.55) SYKCDK1CCNB1FLT3CDK7
SCHEMBL15890554 0.84 MET (0.51) SYKFLT3ITKEGFRJAK3
SCHEMBL14666818 0.83 SYK (0.64) SYKITKEGFRJAK3BTK
SCHEMBL1019330 0.82 ITK (0.45) SYKITKEGFRJAK3BTK
SCHEMBL14666819 0.81 SYK (0.65) SYKCDK1CCNB1FLT3CDK7
SCHEMBL1016370 0.81 SYK (0.55) SYKCDK1CCNB1FLT3ITK
SCHEMBL1016016 0.80 ITK (0.56) SYKCDK1CCNB1FLT3ITK
SCHEMBL1018569 0.79 TTK (0.57) SYKCDK1CCNB1FLT3CDK7

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-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 — — EP disclosed