SCHEMBL4365066

SCHEMBL4365066

Cn1nc(Br)c2cnc([AsH2])nc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4222561 0.79 CDK4 (0.41) BTK
SCHEMBL30968152 0.79 PDE2A (0.39) BTKKDM4EALDH1A1KMT2A
SCHEMBL4262449 0.76 KDM4E (0.33) KDM4EMEN1MAPTKMT2A
SCHEMBL31737850 0.72 MERTK (0.55) MEN1MAPK1KMT2A
SCHEMBL31737805 0.72 ALDH1A1 (0.48) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL31738236 0.67 LRRK2 (0.48) MAPK1
SCHEMBL31738251 0.67 IGF1R (0.43) BTKMAPK1
SCHEMBL31633020 0.66 MAT2A (0.33)
SCHEMBL22553976 0.64 HSD17B10 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL31633155 0.61 ADORA2A (0.37)

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-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 EP disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed