SCHEMBL7899032

SCHEMBL7899032

Nc1ncc(Br)nc1Nc1ccc2c(c1)CCN2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ULK1 O75385 2/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ WEE1 P30291 1/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ PTK2B Q14289 3/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PLAU P00749 1/20 0.33

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
SCHEMBL7697294 0.75 CA12 (0.47) JAK2TYK2DRD2DRD4WEE1
SCHEMBL1642543 0.73 MKNK1 (0.60) FGFR2FLT3MKNK1
SCHEMBL20117703 0.71 ULK1 (0.39) ULK1JAK2TYK2DRD2DRD4
SCHEMBL1641747 0.70 FGFR2 (0.67) FGFR2FLT3ULK1IGF1R
SCHEMBL29393606 0.69 CDK1 (0.49) FGFR2FLT3MKNK1
SCHEMBL1642894 0.68 EGFR (0.56) FGFR2FLT3MKNK1
SCHEMBL13154269 0.68 SYK (0.40) JAK2TYK2
SCHEMBL12065998 0.68 EGFR (0.52) —
SCHEMBL3694287 0.68 DRD2 (0.49) DRD2DRD4
SCHEMBL16151185 0.68 EGFR (0.54) FLT3

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
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 — — WO disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 — — WO disclosed
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