SCHEMBL29947955

SCHEMBL29947955

O=c1ncc2ccccc2n1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ DAO P14920 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
SCHEMBL23272041 1.00 HSD17B10 (0.33) HSD17B10TDP1KMORECQLCA12
SCHEMBL3672243 0.77 CA12 (0.34) KMOCA12BRD4BRPF1CA9
SCHEMBL28319074 0.77 CA12 (0.34) HSD17B10TDP1KMORECQLCA12
SCHEMBL11868257 0.76 HDAC1 (0.37) TDP1HDAC1HDAC6HDAC8
SCHEMBL29570632 0.75 KDM4E (0.40) TDP1KDM4EDAOMAPT
SCHEMBL3672244 0.74 PLK1 (0.41) TDP1KMORECQLHDAC1HDAC6
SCHEMBL8229991 0.73 CA12 (0.52) HSD17B10KMOCA12BRD4BRPF1
SCHEMBL7738629 0.73 NOS2 (0.38) TDP1KMORECQLCA12BRD4
SCHEMBL30738537 0.73 CA12 (0.34) HSD17B10TDP1KMORECQLCA12
SCHEMBL7613241 0.73 KDM4E (0.43) KMORECQLCA12BRD4BRPF1

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
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 — — EP disclosed
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