SCHEMBL30966343

SCHEMBL30966343

CC(C)(C)OC(=O)Nc1cc(N2CCC(F)(F)CC2)c2ccnn2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.39
▸ RORC P51449 7/20 0.39
▸ MET P08581 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ NR1I3 Q14994 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36

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
SCHEMBL30785903 0.82 TSHR (0.39) GSK3ARORCMAPTGSK3BNR1I3
SCHEMBL30785915 0.80 GSK3A (0.41) GSK3ARORCMAPTGSK3BTSHR
SCHEMBL29195527 0.75 TSHR (0.40) GSK3ARORCMAPTGSK3BTSHR
SCHEMBL30778525 0.74 TSHR (0.39) GSK3ARORCMAPTCA12CA1
SCHEMBL31239543 0.73 TSHR (0.38) RORCCA12CA1CA9TSHR
SCHEMBL31239522 0.73 TSHR (0.38) RORCCA12CA1CA9TSHR
SCHEMBL30977495 0.72 CYP17A1 (0.50) RORCCA12CA1CA9CYP17A1
SCHEMBL30856684 0.71 GSK3A (0.36) GSK3AMETAXLMAPTGSK3B
SCHEMBL30856653 0.71 FFAR2 (0.38) GSK3AMETAXLMAPTGSK3B
SCHEMBL31373494 0.71 TSHR (0.38) TSHRFSHR

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
WO-2024083208-A1 KIF18A PROTEIN INHIBITOR 杭州邦顺制药有限公司 2024-04-25 — — WO disclosed
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