SCHEMBL31373458

SCHEMBL31373458

Cc1cc2cc(N)cc(N3CCC(F)(F)CC3)c2nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
FLT3 P36888 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
FFAR2 O15552 4/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
PTGER4 P35408 1/20 0.31
KIF18A Q8NI77 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL26650746 1.00 ADRB2 (0.38) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL26650747 0.83 ADRB2 (0.42) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL26650616 0.81 ADRB2 (0.43) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL31373467 0.81 ADRB2 (0.43) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL26650621 0.78 ADRB2 (0.39) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL31373455 0.78 ADRB2 (0.39) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL31373527 0.77 GSK3A (0.40) ADRB2FLT3FFAR2GSK3AGSK3B
SCHEMBL26650564 0.77 GSK3A (0.40) ADRB2FLT3FFAR2GSK3AGSK3B
SCHEMBL29141372 0.74 GAA (0.39) ADRB2FLT3NOS3NOS1NOS2
SCHEMBL31316098 0.73 SLC6A4 (0.43) ADRB2FFAR2ALDH1A1MAPTGSK3A

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-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
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