SCHEMBL24392906

SCHEMBL24392906

C=CC(=O)Nc1ccc(OC)c(Oc2nc(Nc3cnn(CCO)c3)ncc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 5/20 0.67
▸ MAP2K1 Q02750 4/20 0.67
▸ MAPK1 P28482 3/20 0.67
▸ FLT3 P36888 2/20 0.67
▸ JAK2 O60674 4/20 0.61
▸ JAK1 P23458 3/20 0.61
▸ TYK2 P29597 2/20 0.61
▸ TTK P33981 2/20 0.61
▸ EGFR P00533 6/20 0.58
▸ JAK3 P52333 8/20 0.57
▸ AURKA O14965 1/20 0.56
▸ BTK Q06187 4/20 0.55
▸ PLK4 O00444 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ NUAK1 O60285 1/20 0.52
▸ BLK P51451 1/20 0.52
▸ BMX P51813 1/20 0.52
▸ CTSC P53634 1/20 0.52
▸ PTK2 Q05397 1/20 0.52
▸ ITK Q08881 1/20 0.52

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
SCHEMBL29537572 0.91 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL29537573 0.91 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL24392702 0.91 MAP3K7 (0.65) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL24392718 0.89 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL16514904 0.85 JAK2 (0.69) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL24392882 0.82 MAP3K7 (0.63) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL16513651 0.80 MAP3K7 (0.78) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL24392701 0.79 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL29538046 0.79 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1FLT3JAK2
SCHEMBL16513883 0.79 JAK2 (0.80) JAK2JAK1TYK2TTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237418-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 — — CN disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
Send feedback