SCHEMBL25112477

SCHEMBL25112477

Cc1nc(N)c(/C=C/C(=O)OC(C)(C)C)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
TBXAS1 P24557 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
XPO1 O14980 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25112472 1.00 LMNA (0.35) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL24096386 0.84 PDE4B (0.37) CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL30362860 0.84 PDE4B (0.37) CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL29154691 0.81 CNKSR1 (0.43) LMNAHTTCYP3A4CYP2C9CYP2C19
SCHEMBL30739070 0.81 CNKSR1 (0.43) LMNAHTTCYP3A4CYP2C9CYP2C19
SCHEMBL29154708 0.79 L3MBTL1 (0.45) LMNAKDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL27186830 0.79 L3MBTL1 (0.45) LMNAKDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL25743158 0.71 CA12 (0.45) LMNACYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL24096383 0.67 LMNA (0.40) LMNAHTTCYP3A4CYP2C19KDM4E
SCHEMBL29698777 0.67 LMNA (0.40) LMNAHTTCYP3A4CYP2C19KDM4E

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
EP-4148056-A1 SOS1 INHIBITOR CONTAINING PHOSPHORUS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-15 EP disclosed