SCHEMBL4729366

SCHEMBL4729366

OCC(Nc1ccnc(Cl)n1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ KCNA5 P22460 2/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MAP3K8 P41279 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34

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
SCHEMBL14670401 0.78 NTRK1 (0.37) JAK2JAK1TYK2JAK3KCNA5
SCHEMBL4728068 0.78 CTSA (0.38) —
SCHEMBL4725583 0.78 CCNT1 (0.41) USP2LMNATP53MAPTMAPK1
SCHEMBL4727670 0.76 AURKA (0.38) ALOX15TSHR
SCHEMBL4727991 0.75 CDK2 (0.45) PIM1CDK2GSK3BPLK1CSNK2A1
SCHEMBL27738470 0.75 NTRK1 (0.48) JAK2JAK3CDK2LMNAMAPT
SCHEMBL4729310 0.75 CCNC (0.37) KDM4ECDK2LMNAMAPTSMN1; SMN2
SCHEMBL4729364 0.75 CYP2D6 (0.48) SLC10A1KDM4EMAPK1TGFBR1TSHR
SCHEMBL4780128 0.74 CCNT1 (0.43) KDM4ECDK2LMNAMAPTMAPK1
SCHEMBL4728071 0.74 USP1 (0.46) KDM4ECDK2TP53MAPTMAPK1

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
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 — — WO disclosed
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