SCHEMBL13842589

SCHEMBL13842589

Cc1nn2cc(Cl)cnc2c1-c1cc(N2CCCC(C(N)=O)C2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.59
▸ JAK3 P52333 15/20 0.59
▸ ITGB2 P05107 1/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ ITGAL P20701 1/20 0.43
▸ CDK9 P50750 2/20 0.42
▸ EIF2AK4 Q9P2K8 2/20 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
SCHEMBL13842341 0.90 JAK2 (0.72) JAK2JAK3CDK9
SCHEMBL2938519 0.84 JAK2 (0.79) JAK2JAK3ITGB2ICAM1ITGAL
SCHEMBL13842340 0.80 JAK2 (0.85) JAK2JAK3ITGB2ICAM1ITGAL
SCHEMBL13842339 0.79 JAK2 (0.70) JAK2JAK3
SCHEMBL13842587 0.77 JAK2 (0.70) JAK2JAK3
SCHEMBL13842328 0.73 JAK2 (1.00) JAK2JAK3ITGB2ICAM1ITGAL
SCHEMBL13842332 0.72 JAK2 (0.71) JAK2JAK3
SCHEMBL13842331 0.70 JAK2 (0.71) JAK2JAK3
SCHEMBL13842329 0.69 JAK2 (0.68) JAK2JAK3
SCHEMBL13842330 0.69 JAK2 (0.70) JAK2JAK3

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-7528138-B2 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 — — US disclosed
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