SCHEMBL10285524

SCHEMBL10285524

CN(C)c1ccc(Nc2cc(NCc3cncc(F)c3)c(C(N)=O)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.57
▸ IRAK4 Q9NWZ3 7/20 0.57
▸ JAK2 O60674 5/20 0.57
▸ JAK1 P23458 5/20 0.57
▸ TYK2 P29597 5/20 0.57
▸ CSF1R P07333 4/20 0.47
▸ BTK Q06187 1/20 0.47
▸ STAT3 P40763 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ SYK P43405 1/20 0.39

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
SCHEMBL2697553 0.92 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695814 0.90 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693436 0.90 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696691 0.89 JAK3 (0.60) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694922 0.89 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693142 0.88 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2697907 0.87 JAK3 (0.58) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694446 0.86 JAK3 (0.57) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693078 0.85 JAK3 (0.58) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2697296 0.85 JAK3 (0.57) JAK3IRAK4JAK2JAK1TYK2

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-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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