SCHEMBL30405652

SCHEMBL30405652

Cc1ncc2c(-c3cccnc3)nn(COCC[Si](C)(C)C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 12/20 0.45
AXL P30530 3/20 0.45
TYRO3 Q06418 2/20 0.45
TBXAS1 P24557 1/20 0.40
GRM5 P41594 1/20 0.40
DGAT1 O75907 1/20 0.37
MAPT P10636 1/20 0.35
CYP2A6 P11509 1/20 0.35
AURKA O14965 1/20 0.35
RET P07949 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL30405974 0.86 TBXAS1 (0.41) MERTKAXLTYRO3TBXAS1GRM5
SCHEMBL14699238 0.79 TBXAS1 (0.44) MERTKAXLTYRO3TBXAS1GRM5
SCHEMBL2237429 0.76 PIK3CG (0.41) MERTKAXLTYRO3TBXAS1DGAT1
SCHEMBL29172496 0.75 TBXAS1 (0.40) MERTKAXLTYRO3TBXAS1GRM5
SCHEMBL29930755 0.74 L3MBTL1 (0.40) MERTKTBXAS1GRM5
SCHEMBL5518448 0.74 TBXAS1 (0.41) TYRO3TBXAS1DGAT1MAPTAURKA
SCHEMBL14699237 0.73 CYP2A6 (0.37) DGAT1MAPTCYP2A6CYP3A4CYP2D6
SCHEMBL29806073 0.73 CYP2C19 (0.40) DGAT1MAPTCYP2A6CYP3A4CYP2D6
SCHEMBL2608752 0.71 ALDH1A1 (0.40) TBXAS1DGAT1CYP2A6CYP3A4CYP2D6
SCHEMBL14713862 0.71 PIM1 (0.46) DGAT1MAPTCYP2A6CYP3A4CYP2C9

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-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed