SCHEMBL30748646

SCHEMBL30748646

Nc1cc2ccc(Br)nc2c(N2CCC(F)(F)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MBOAT4 Q96T53 2/20 0.35
FFAR2 O15552 5/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ADRB2 P07550 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
CNR2 P34972 2/20 0.32
WHR1 P49842 1/20 0.31
MAOB P27338 1/20 0.31
GRM4 Q14833 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
SCHEMBL26650584 1.00 NOS3 (0.36) NOS3NOS1NOS2MBOAT4FFAR2
SCHEMBL26650968 0.84 NOS3 (0.36) NOS3NOS1NOS2MBOAT4FFAR2
SCHEMBL26650429 0.84 NOS3 (0.41) NOS3NOS1NOS2MBOAT4FFAR2
SCHEMBL26650701 0.83 SCN10A (0.41) NOS3NOS1NOS2FFAR2PIK3CA
SCHEMBL26650487 0.78 GRM4 (0.43) NOS3NOS1NOS2FFAR2PIK3CA
SCHEMBL29074142 0.74 MBOAT4 (0.49) NOS3NOS1NOS2MBOAT4FFAR2
SCHEMBL30527887 0.74 MBOAT4 (0.49) NOS3NOS1NOS2MBOAT4FFAR2
SCHEMBL26650606 0.73 SCN10A (0.39) NOS3NOS1NOS2FFAR2PIK3CA
SCHEMBL30748557 0.73 SCN10A (0.39) NOS3NOS1NOS2FFAR2PIK3CA
SCHEMBL31485331 0.71 GSK3B (0.39) SCN10AWHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212988-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-27 CN disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed