SCHEMBL30100712

SCHEMBL30100712

O=C1CCc2cc(NC(=O)c3ccncc3C(F)(F)F)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 9/20 0.53
▸ KIF11 P52732 3/20 0.51
▸ MAP4K1 Q92918 1/20 0.50
▸ CRBN Q96SW2 2/20 0.49
▸ PTK2 Q05397 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ ALDH1A2 O94788 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL26088019 1.00 ULK1 (0.53) ULK1KIF11MAP4K1CRBNPTK2
SCHEMBL23674939 0.85 MAP4K1 (0.48) ULK1KIF11MAP4K1CRBNPTK2
SCHEMBL30100728 0.85 MAP4K1 (0.48) ULK1KIF11MAP4K1CRBNPTK2
SCHEMBL26441302 0.84 MAP4K1 (0.53) ULK1KIF11MAP4K1CRBNALDH1A2
SCHEMBL31329495 0.82 MAP4K1 (0.51) ULK1KIF11MAP4K1CRBNALDH1A2
SCHEMBL21646064 0.82 MAP4K1 (0.51) ULK1KIF11MAP4K1CRBNALDH1A2
SCHEMBL31329494 0.82 MAP4K1 (0.51) ULK1KIF11MAP4K1CRBNALDH1A2
SCHEMBL9378760 0.80 MAP4K1 (0.60) KIF11MAP4K1CRBNALDH1A2HDAC3
SCHEMBL30100726 0.80 CRBN (0.49) ULK1KIF11MAP4K1CRBNALDH1A2
SCHEMBL23674722 0.80 CRBN (0.49) ULK1KIF11MAP4K1CRBNALDH1A2

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-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 — — EP disclosed
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