SCHEMBL5080202

SCHEMBL5080202

Nc1ncnn2c(C3CCN(C(=O)O)CC3Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 3/20 0.38
CSNK2A2 P19784 3/20 0.34
CSNK2A1 P68400 3/20 0.34
PDE2A O00408 4/20 0.32
PDE3A Q14432 1/20 0.32
PIK3CD O00329 3/20 0.32
RIPK1 Q13546 3/20 0.32
PDE3B Q13370 1/20 0.31
TYRO3 Q06418 1/20 0.31
POLRMT O00411 1/20 0.30

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
SCHEMBL14312912 0.85 SRC (0.43) DOT1LPIK3CDRIPK1
SCHEMBL60490 0.84 PDE2A (0.43) DOT1LCSNK2A2CSNK2A1PDE2APDE3A
SCHEMBL5128661 0.81 CSNK2A2 (0.40) DOT1LCSNK2A2CSNK2A1PDE2APDE3A
SCHEMBL14488121 0.81 PDE2A (0.50) PDE2APDE3APDE3B
SCHEMBL16011360 0.81 PDE2A (0.50) PDE2APDE3APDE3B
SCHEMBL5077314 0.77 PDE2A (0.44) CSNK2A2CSNK2A1PDE2APDE3APDE3B
SCHEMBL5080389 0.75 CSNK2A2 (0.35) CSNK2A2CSNK2A1PDE2APDE3APIK3CD
SCHEMBL28911462 0.75 DOT1L (0.39) DOT1LCSNK2A2CSNK2A1PDE2APDE3A
SCHEMBL19377763 0.73 TYRO3 (0.45) CSNK2A2CSNK2A1PDE2APDE3APIK3CD
SCHEMBL31391115 0.69 MAP4K4 (0.43) DOT1LPIK3CDPOLRMT

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-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed