SCHEMBL14628236

SCHEMBL14628236

NCCCNc1nc(CN2CCN(Cc3ccc(C#Cc4ccccc4)cc3)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ MAPT P10636 5/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL14585344 0.87 KDM1A (0.54) KDM4EALOX15MAPK1ALDH1A1KDM1A
SCHEMBL14585306 0.79 KDM1A (0.54) KDM4EALOX15MAPK1ALDH1A1KDM1A
SCHEMBL14628171 0.78 CACNA1G (0.45) KDM4EALOX15MAPTNPSR1MAPK1
SCHEMBL14628155 0.77 KDM1A (0.58) KDM4EALOX15MAPK1ALDH1A1KDM1A
SCHEMBL4631081 0.77 KDM1A (0.63) KDM4EALOX15MAPTNPSR1MAPK1
SCHEMBL14585338 0.76 ALDH1A1 (0.57) KDM4EALOX15MAPK1ALDH1A1KDM1A
SCHEMBL14585313 0.76 POLB (0.61) KDM4EALOX15MAPTNPSR1MAPK1
SCHEMBL14585050 0.76 HIF1A (0.40) KDM4EALOX15MAPTNPSR1MAPK1
SCHEMBL14585343 0.75 KDM1A (0.56) KDM4EALOX15MAPK1ALDH1A1KDM1A
SCHEMBL14585300 0.75 KDM1A (0.56) KDM4EALOX15MAPK1ALDH1A1KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO disclosed
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