SCHEMBL3124312

SCHEMBL3124312

CNc1nc(Cl)cc(N2CCC[C@@H](NC(=O)O)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 4/20 0.46
▸ CDK8 P49336 4/20 0.46
▸ BTK Q06187 3/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PPARA Q07869 7/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL12119802 0.86 BTK (0.59) BTKJAK3
SCHEMBL12069784 0.83 TSHR (0.57) GAATSHRHSD17B10
SCHEMBL16966450 0.82 CCNC (0.38) CCNCCDK8LMNAGAA
SCHEMBL16966480 0.80 PDPK1 (0.42) CCNCCDK8JAK3LMNA
SCHEMBL14804602 0.79 GALR2 (0.41) JAK3HRH4
SCHEMBL1317316 0.78 CCNC (0.37) CCNCCDK8BTKJAK3KMT2A
SCHEMBL3131514 0.77 CCNC (0.40) CCNCCDK8BTKJAK3PPARA
SCHEMBL12485380 0.75 HRH4 (0.41) BTKJAK3LMNAPPARAGAA
SCHEMBL16966441 0.75 KDM1A (0.45) —
SCHEMBL4400365 0.74 LMNA (0.42) CCNCCDK8BTKLMNAHRH4

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
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
Send feedback