SCHEMBL4754428

SCHEMBL4754428

COc1ccc(-n2ncc3c([AsH]c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 12/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.45
KDM4E B2RXH2 6/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MDM2 Q00987 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4917652 0.85 MAPT (0.62) RXFP1TP53MAPTLMNATHRB
SCHEMBL4755211 0.84 MAPT (0.62) RXFP1TP53MAPTLMNATHRB
SCHEMBL4789574 0.81 MAPK14 (0.63) TP53POLBMAPTLMNATHRB
SCHEMBL4699408 0.80 MAPT (0.53) RXFP1TP53POLBMAPTLMNA
SCHEMBL4187241 0.79 MAPK14 (0.57) TP53MAPTLMNATHRBKDM4E
SCHEMBL4917379 0.79 MAPT (0.62) RXFP1TP53POLBMAPTLMNA
SCHEMBL4697666 0.79 PIP4K2A (0.53) RXFP1TP53MAPTLMNATHRB
SCHEMBL4919350 0.78 MAPT (0.54) TP53MAPTLMNATHRBKDM4E
SCHEMBL3977839 0.72 ABCG2 (0.54) RXFP1TP53POLBMAPTTHRB
SCHEMBL4701650 0.70 MAPK14 (0.59) TP53POLBMAPTLMNATHRB

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-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP claimed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO claimed