SCHEMBL30019459

SCHEMBL30019459

CN1CCN(c2ccc(N)cc2OC2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADRA2C P18825 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ PTK2B Q14289 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 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
SCHEMBL30019147 0.97 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL29399625 0.80 FLT3 (0.46) MAPTKDM4ERAD52GAAPTK2B
SCHEMBL29517510 0.79 MAPT (0.61) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL189143 0.79 MAPT (0.61) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30878657 0.77 MAPT (0.49) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL25797099 0.77 MAPT (0.56) MAPTKDM4EALDH1A1L3MBTL1GAA
SCHEMBL4297446 0.77 MAPT (0.55) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879277 0.76 NFE2L2 (0.50) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879017 0.76 CYP19A1 (0.53) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL25565665 0.75 MAPT (0.56) MAPTKDM4ERAD52ALDH1A1L3MBTL1

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-2022226290-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 — — WO disclosed
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