SCHEMBL30895271

SCHEMBL30895271

Cc1nn(C(F)(F)F)c2cc(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.38
CDK5 Q00535 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAPK8 P45983 1/20 0.33
PDE2A O00408 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
KMO O15229 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
NMT1 P30419 1/20 0.31
CASP3 P42574 1/20 0.31
MPO P05164 1/20 0.31
NT5E P21589 1/20 0.31
SOS1 Q07889 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP11B1 P15538 2/20 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
SCHEMBL30895272 1.00 PDGFRA (0.38) PDGFRACDK5TYRO3MAPK8PDE2A
SCHEMBL30895267 0.87 MAPK8 (0.39) PDGFRACDK5TYRO3MAPK8PDE2A
SCHEMBL30895265 0.80 ESR1 (0.40) KMOADORA2AADORA2BSLC22A12CYP19A1
SCHEMBL2144982 0.75 ADORA2A (0.59) PDGFRACDK5TYRO3MAPK8NPC1
SCHEMBL30032217 0.75 ADORA2A (0.59) PDGFRACDK5TYRO3MAPK8NPC1
SCHEMBL28245972 0.73 NT5E (0.41) CASP3MPONT5ESLC22A12CYP2C9
SCHEMBL30895259 0.72 HSD17B10 (0.36)
SCHEMBL30895260 0.72 HSD17B10 (0.36)
SCHEMBL21163430 0.72 PDGFRA (0.43) PDGFRACDK5TYRO3MAPK8NPC1
SCHEMBL16596067 0.71 GRM4 (0.43) PDGFRACDK5TYRO3MAPK8NPC1

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
EP-4608507-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS Neurocrine Biosciences, Inc. (US) 2025-09-03 EP disclosed
WO-2024091538-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed