SCHEMBL29926665

SCHEMBL29926665

O=C(Nc1ccc(Br)c2cc[nH]c12)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KLK7 P49862 1/20 0.46
PARP14 Q460N5 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL14746763 1.00 JAK2 (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL24762761 0.82 MAPT (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL29764411 0.82 JAK2 (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL24762065 0.82 JAK2 (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL27174945 0.82 JAK2 (0.46) JAK2TP53MAPTHTTKLK7
SCHEMBL29901136 0.81 RXFP1 (0.39) JAK2TP53MAPTRXFP1PARP1
SCHEMBL31488142 0.80 RXFP1 (0.57) MAPTHTTCA2CA1CA9
SCHEMBL2768424 0.76 AAK1 (0.39) JAK2MAPTHTTCA1CA12
SCHEMBL27174857 0.70 MAPT (0.38) JAK2TP53MAPTHTTKLK7
SCHEMBL15072456 0.68 NPC1 (0.47) CA2CA1CA12CA9PDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573088-A1 HETEROCYCLE RBM39 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-06-25 EP disclosed
WO-2024039689-A1 HETEROCYCLE RBM39 MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
CN-115087658-A Sulfonamide or sulfenamide compounds having BRD 4-inducing proteolytic activity, and pharmaceutical use thereof 田边三菱制药株式会社 2022-09-20 CN disclosed