SCHEMBL30954963

SCHEMBL30954963

Cc1cnc(Cl)c(-c2c(F)cccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
KMT2A Q03164 1/20 0.37
ORAI1 Q96D31 2/20 0.36
PDE10A Q9Y233 2/20 0.36
PTGES O14684 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
DHODH Q02127 1/20 0.33
PDE2A O00408 1/20 0.33
SRC P12931 1/20 0.32
WEE1 P30291 1/20 0.32

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
SCHEMBL30955022 0.84 CCR1 (0.34) CCR1CCR5CCR8KMT2A
SCHEMBL30955012 0.82 ALOX5AP (0.36) PTGESALOX5APFEN1SRC
SCHEMBL30414249 0.74 PDE2A (0.36) KMT2APDE10APTGESKDM4EPDE2A
SCHEMBL29131813 0.74 PDE2A (0.36) KMT2APDE10APTGESKDM4EPDE2A
SCHEMBL17892 0.73
SCHEMBL21021863 0.73 PTGES (0.43) KMT2AORAI1PTGES
SCHEMBL277611 0.68 ACHE (0.41) KMT2APTGESCYP1A2
SCHEMBL30415229 0.67 PDE2A (0.39) KMT2APDE10APTGESPDE2A
SCHEMBL29039016 0.67 PDE2A (0.39) KMT2APDE10APTGESPDE2A
SCHEMBL31717355 0.66 ACHE (0.39) KMT2APTGESDHODH

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-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed