SCHEMBL29277697

SCHEMBL29277697

COC(=O)c1nc(Cl)cnc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
MAPKAPK2 P49137 6/20 0.46
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
GRM5 P41594 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TRPA1 O75762 1/20 0.36
LCK P06239 1/20 0.36
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL7462692 0.85 ATR (0.42) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL7455428 0.84 ATR (0.41) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL29277701 0.83 ATR (0.41) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL29277692 0.81 ATR (0.39) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL15402213 0.81 MAPKAPK2 (0.47) ATRMAPKAPK2
SCHEMBL3868896 0.79 GRM5 (0.53) MAPKAPK2GRM5NPSR1
SCHEMBL31132878 0.79 CCR4 (0.46) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL28816599 0.77 MAPKAPK2 (0.46) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1
SCHEMBL29710107 0.77 MAPKAPK2 (0.46) ATRMAPKAPK2STK17BSTK17ATRPA1
SCHEMBL29844553 0.77 MAPKAPK2 (0.46) ATRMAPKAPK2ACVR1BTGFBR1ACVRL1

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-117327053-A Preparation method of PKC inhibitor darovasertib 云南万宏医药科技有限公司 2024-01-02 CN disclosed