SCHEMBL31282019

SCHEMBL31282019

CC(C)COC(=O)c1c[nH]c2ncncc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 14/20 0.50
TAB1 Q15750 14/20 0.50
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
MAP2K1 Q02750 1/20 0.41
AXL P30530 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL31280931 0.83 JAK2 (0.44) ALDH1A1MAP2K1AXL
SCHEMBL31070093 0.82 MAP2K1 (0.43) MAP3K7TAB1ALDH1A1MAP2K1AXL
SCHEMBL21713015 0.82 MAP2K1 (0.59) ALDH1A1TSHRMAP2K1AXLKDM4E
SCHEMBL30996123 0.77 NTRK1 (0.40) MAP3K7TAB1ALDH1A1MAP2K1AXL
SCHEMBL30421434 0.77 MAP2K1 (0.43) MAP2K1AXL
SCHEMBL13627414 0.75 HASPIN (0.46) MAP3K7TAB1MAP2K1AXL
SCHEMBL27934700 0.75 NTRK1 (0.49) MAP3K7TAB1MAP2K1AXL
SCHEMBL14406911 0.75 NTRK1 (0.44) MAP2K1AXLKDM4E
SCHEMBL28202369 0.74 NTRK1 (0.44) MAP3K7TAB1MAP2K1AXLKDM4E
SCHEMBL29589055 0.74 ALDH1A1 (0.43) ALDH1A1MAP2K1AXL

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
CN-119080779-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2024-12-06 CN disclosed