SCHEMBL10842071

SCHEMBL10842071

COc1ccc(-c2nnc3cc(C)c4cc(NC=C(C#N)C#N)ccc4n23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.37
▸ MAPT P10636 9/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ APEX1 P27695 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
SCHEMBL10840956 0.82 NPSR1 (0.49) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10841340 0.81 MAPT (0.43) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10842915 0.75 CHEK1 (0.45) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10842466 0.71 MEN1 (0.47) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL22307388 0.70 ALDH1A1 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10842419 0.63 KDM4E (0.36) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10842100 0.60 NPC1 (0.37) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10840481 0.59 KDM4E (0.52) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL13579637 0.58 KDR (0.49) CHEK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10843797 0.58 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1KDM4E

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-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP claimed
EP-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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