SCHEMBL31091928

SCHEMBL31091928

Cn1cnc(-c2cc(F)cc(F)c2C=O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 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
SCHEMBL31091927 0.80 PTGS1 (0.34) KDM4EKDM4CMAPK14TGFBR1PTGS1
SCHEMBL31091868 0.77 TGFBR1 (0.34) KDM4EKDM4CMAPK14TGFBR1KDM5A
SCHEMBL31091918 0.74 KDM4E (0.42) KDM4EKDM4CMAPK14DPP4KDM4A
SCHEMBL11258939 0.66 PTGS2 (0.43) KDM4EPTGS1PTGS2
SCHEMBL2552652 0.66 CYP1A2 (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL31091965 0.66 MEN1 (0.36) KDM4EMAPK14
SCHEMBL95723 0.66 ERN1 (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL9712527 0.65 ERN1 (0.42) —
SCHEMBL29824002 0.65 ERN1 (0.42) —
SCHEMBL2559888 0.65 SLC34A1 (0.40) MAPK14PTGS1PTGS2

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-2024220541-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 — — WO disclosed
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