SCHEMBL10226758

SCHEMBL10226758

CN(c1ncnc2c1ccn2S)C1CCCCNC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.47
▸ JAK1 P23458 10/20 0.47
▸ JAK2 O60674 5/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TYK2 P29597 2/20 0.35

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
SCHEMBL10228213 0.82 CHEK1 (0.44) JAK3JAK1JAK2CHEK1KCNH2
SCHEMBL17545962 0.78 JAK1 (0.46) JAK3JAK1JAK2MEN1KMT2A
SCHEMBL13774321 0.76 JAK3 (0.59) JAK3JAK1JAK2TYK2
SCHEMBL2733906 0.75 CHEK1 (0.52) JAK3JAK1JAK2CHEK1KCNH2
SCHEMBL17545881 0.74 JAK1 (0.47) JAK3JAK1JAK2MAPTCHEK1
SCHEMBL18465519 0.74 SMN1; SMN2 (0.47) JAK3JAK1JAK2MEN1KMT2A
SCHEMBL20183452 0.74 JAK3 (0.76) JAK3JAK1JAK2TYK2
SCHEMBL14615713 0.74 JAK3 (0.76) JAK3JAK1JAK2TYK2
SCHEMBL22510598 0.73 JAK3 (0.54) JAK3JAK1JAK2MEN1KMT2A
SCHEMBL17545876 0.71 CHEK1 (0.54) JAK3JAK1JAK2CHEK1KCNH2

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-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 — — WO disclosed
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