SCHEMBL31373455

SCHEMBL31373455

Nc1cc(N2CCC(F)(F)CC2)c2nc(N)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
FFAR2 O15552 3/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PLAU P00749 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
FLT3 P36888 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
MCHR1 Q99705 2/20 0.31
GAK O14976 1/20 0.30
KIF18A Q8NI77 1/20 0.30

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
SCHEMBL26650621 1.00 ADRB2 (0.39) ADRB2FFAR2GSK3AGSK3BPLAU
SCHEMBL31373467 0.86 ADRB2 (0.43) ADRB2FFAR2GSK3AGSK3BNOS3
SCHEMBL26650616 0.86 ADRB2 (0.43) ADRB2FFAR2GSK3AGSK3BNOS3
SCHEMBL30748650 0.81 NCF1 (0.42) FFAR2PLAUNOS3NOS1MCHR1
SCHEMBL31316098 0.81 SLC6A4 (0.43) ADRB2FFAR2GSK3AGSK3B
SCHEMBL26646217 0.81 SLC6A4 (0.43) ADRB2FFAR2GSK3AGSK3B
SCHEMBL31373527 0.79 GSK3A (0.40) ADRB2FFAR2GSK3AGSK3BFLT3
SCHEMBL26650564 0.79 GSK3A (0.40) ADRB2FFAR2GSK3AGSK3BFLT3
SCHEMBL31373458 0.78 ADRB2 (0.38) ADRB2FFAR2GSK3AGSK3BNOS3
SCHEMBL26650746 0.78 ADRB2 (0.38) ADRB2FFAR2GSK3AGSK3BNOS3

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
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