SCHEMBL30786231

SCHEMBL30786231

CCNC(=O)c1cccc(F)c1Sc1ccc2c(I)nn(C3CCCCO3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.35
PDPK1 O15530 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3B P49841 1/20 0.32
DHODH Q02127 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL30786139 0.89 L3MBTL1 (0.37) DGAT2L3MBTL1CNR2CNR1RAB9A
SCHEMBL31475219 0.87 HPGD (0.41) DGAT2CA2CA4HPGDALDH1A1
SCHEMBL30786090 0.85 DRD2 (0.33) DGAT2CA2CA4HPGDALDH1A1
SCHEMBL30786147 0.85 CA2 (0.36) DGAT2CA2CA4HPGDALDH1A1
SCHEMBL30786218 0.81 KDR (0.31)
SCHEMBL30786128 0.80 CNR1 (0.31) CNR2CNR1
SCHEMBL30786126 0.79 DRD2 (0.32) AXLTYRO3MERTKCNR2CNR1
SCHEMBL31475179 0.78 KDR (0.40) DGAT2PDPK1AXLMERTKHPGD
SCHEMBL13446053 0.78 KDR (0.40) DGAT2PDPK1AXLMERTKHPGD
SCHEMBL31475216 0.78 DRD2 (0.33) PDPK1

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
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed