SCHEMBL30136596

SCHEMBL30136596

Nc1cnc(NC2CC(O)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK8 P45983 12/20 0.38
MAPK1 P28482 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPK9 P45984 8/20 0.35
MAPK10 P53779 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL24756044 1.00 MKNK1 (0.40) MKNK1MKNK2MAPK8MAPK1HDAC3
SCHEMBL11099362 0.83 MAPK8 (0.49) MAPK8MAPK1HDAC3HDAC1HDAC2
SCHEMBL2949550 0.79 MAPK1 (0.48) MAPK8MAPK1HDAC3HDAC1HDAC2
SCHEMBL26675787 0.77 HCAR3 (0.42) MKNK1MKNK2TYRO3MERTK
SCHEMBL26675753 0.77 HCAR3 (0.42) MKNK1MKNK2TYRO3MERTK
SCHEMBL30716711 0.77 HCAR3 (0.42) MKNK1MKNK2TYRO3MERTK
SCHEMBL26675750 0.77 HCAR3 (0.42) MKNK1MKNK2TYRO3MERTK
SCHEMBL24655823 0.74 HRH3 (0.46) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL30136658 0.74 GSK3A (0.41) MKNK1MKNK2MAPK8MAPK1HDAC3
SCHEMBL23500917 0.70 ENPP2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
EP-4334298-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER Scorpion Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022265993-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed