SCHEMBL21318595

SCHEMBL21318595

Nc1n[nH]c2ccc(-c3cncc(C(F)F)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.56
▸ PRMT5 O14744 1/20 0.55
▸ WDR77 Q9BQA1 1/20 0.55
▸ DYRK1A Q13627 5/20 0.52
▸ WNT1 P04628 2/20 0.52
▸ PDPK1 O15530 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ PIK3CB P42338 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ATR Q13535 1/20 0.45
▸ ATRIP Q8WXE1 1/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44

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
SCHEMBL10213929 0.78 JAK2 (0.81) JAK2DYRK1APDPK1TYK2JAK3
SCHEMBL21318857 0.75 JAK2 (0.56) JAK2DYRK1AWNT1TYK2JAK3
SCHEMBL17665913 0.74 MAP4K4 (0.61) MAP4K4
SCHEMBL10213963 0.74 JAK2 (0.69) JAK2DYRK1AWNT1JAK3DAPK3
SCHEMBL30588952 0.74 JAK2 (0.69) JAK2DYRK1AWNT1JAK3DAPK3
SCHEMBL21318652 0.73 JAK2 (0.54) JAK2DYRK1AWNT1TYK2JAK3
SCHEMBL12907171 0.72 JAK2 (0.72) JAK2DYRK1APDPK1TYK2JAK3
SCHEMBL31690865 0.72 JAK2 (1.00) JAK2DYRK1APDPK1TYK2JAK3
SCHEMBL24137841 0.72 JAK2 (0.61) JAK2DYRK1APDPK1TYK2JAK3
SCHEMBL24137493 0.72 JAK2 (0.53) JAK2DYRK1AWNT1TYK2JAK3

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
EP-3200787-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-04 — — EP disclosed
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