SCHEMBL16718933

SCHEMBL16718933

N#Cc1ccc(N2CCC(NC(=O)c3cnn4ccc(C5CC5)nc34)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.46
▸ JAK2 O60674 9/20 0.44
▸ JAK3 P52333 6/20 0.44
▸ JAK1 P23458 5/20 0.44
▸ KCNH2 Q12809 5/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ PANK3 Q9H999 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ NTRK1 P04629 4/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ FASN P49327 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
SCHEMBL16729335 0.84 HSD11B1 (0.45) HSD11B1JAK2JAK3JAK1KCNH2
SCHEMBL16718849 0.78 HSD11B1 (0.40) HSD11B1JAK2JAK3JAK1KCNH2
SCHEMBL16729339 0.75 KDM4E (0.49) HSD11B1JAK2JAK3JAK1IRAK4
SCHEMBL16718831 0.74 JAK2 (0.54) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL1345454 0.73 JAK2 (0.55) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL19560025 0.71 NTRK1 (0.61) JAK2IRAK4NTRK1
SCHEMBL16729256 0.71 CHRM4 (0.43) JAK2JAK3JAK1KCNH2CHRM4
SCHEMBL19560176 0.71 NTRK1 (0.61) JAK2IRAK4NTRK1
SCHEMBL19560149 0.71 NTRK1 (0.59) HSD11B1JAK2IRAK4NTRK1
SCHEMBL16729253 0.70 JAK2 (0.46) JAK2JAK3JAK1KCNH2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
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