SCHEMBL6253182

SCHEMBL6253182

Clc1ncnc2c1cnn2-c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ SLC2A1 P11166 5/20 0.41
▸ SLC2A2 P11168 5/20 0.41
▸ SLC2A3 P11169 5/20 0.41
▸ TP53 P04637 5/20 0.40
▸ HTT P42858 3/20 0.40
▸ NPC1 O15118 3/20 0.40

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
SCHEMBL839210 0.85 GCK (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12000946 0.82 SLC2A1 (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL839657 0.82 SLC2A1 (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL849766 0.82 MAPT (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL25343909 0.81 CYP17A1 (0.42) MAPTKDM4ECYP1A2SLC2A1SLC2A2
SCHEMBL30568436 0.81 CYP17A1 (0.42) MAPTKDM4ECYP1A2SLC2A1SLC2A2
SCHEMBL838945 0.80 MAPK14 (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL25975269 0.80 MAPT (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL838829 0.79 P2RX7 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL839578 0.79 SLC2A1 (0.56) MAPTKDM4EALDH1A1MEN1KMT2A

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-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 — — WO claimed
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 — — WO disclosed
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