SCHEMBL21012156

SCHEMBL21012156

Bc1ccnc(NC2CCCCCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ HRH4 Q9H3N8 3/20 0.51
▸ CDK1 P06493 5/20 0.50
▸ CCNB1 P14635 5/20 0.50
▸ CDK2 P24941 4/20 0.50
▸ CDK4 P11802 3/20 0.50
▸ CCNA2 P20248 3/20 0.50
▸ CCND1 P24385 3/20 0.50
▸ CCNA1 P78396 3/20 0.50
▸ MAPK8 P45983 3/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CCNB2 O95067 2/20 0.48
▸ CCNB3 Q8WWL7 2/20 0.48
▸ MAPK9 P45984 2/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48

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
SCHEMBL1033751 0.79 CTSK (0.60) CTSKKDM4EGAAHRH4CDK1
SCHEMBL91484 0.79 CTSK (0.60) CTSKKDM4EGAAHRH4CDK1
SCHEMBL18920813 0.79 CTSK (0.60) CTSKKDM4EGAAHRH4CDK1
SCHEMBL20606073 0.79 CTSK (0.60) CTSKKDM4EGAAHRH4CDK1
SCHEMBL27109892 0.78 CTSK (0.59) CTSKKDM4EGAAHRH4CDK1
SCHEMBL10187331 0.77 CTSK (0.58) CTSKKDM4EGAAHRH4CDK1
SCHEMBL3451468 0.77 CTSK (0.58) CTSKKDM4EGAAHRH4CDK1
SCHEMBL91478 0.77 CTSK (0.58) CTSKKDM4EGAAHRH4CDK1
SCHEMBL27109893 0.77 GPR39 (0.58) CTSKKDM4EGAAHRH4CDK1
SCHEMBL15181307 0.76 CTSK (0.56) CTSKKDM4EGAAHRH4CDK1

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-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 — — US disclosed
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