SCHEMBL29507822

SCHEMBL29507822

Cn1cc(Nc2ncc(-c3ccc(Cl)c(F)c3)c(Oc3cc(N)ccc3F)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK19 Q9BWU1 3/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ JAK3 P52333 5/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ MAPK3 P27361 1/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ JAK2 O60674 3/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38

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
SCHEMBL24388679 1.00 CDK19 (0.43) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL29538154 0.87 MAPK1 (0.53) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL24393173 0.87 MAPK1 (0.53) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL29508097 0.86 CCNT1 (0.47) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL29508118 0.83 JAK3 (0.62) MAPK1MAP3K7MAP2K1JAK3JAK1
SCHEMBL24388573 0.83 JAK3 (0.62) MAPK1MAP3K7MAP2K1JAK3JAK1
SCHEMBL24392928 0.76 MAP3K7 (0.53) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL29537689 0.76 MAP3K7 (0.53) CDK19ALKMAPK1MAP3K7MAP2K1
SCHEMBL24388550 0.76 EGFR (0.60) MAPK1MAP3K7MAP2K1JAK3JAK1
SCHEMBL29507939 0.76 EGFR (0.60) MAPK1MAP3K7MAP2K1JAK3JAK1

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-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 — — EP disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 — — WO disclosed
Send feedback