SCHEMBL28876225

SCHEMBL28876225

NC(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ GRM2 Q14416 4/20 0.41
▸ RXRA P19793 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ AR P10275 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ ALKBH2 Q6NS38 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37

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
SCHEMBL3107063 0.77 EPHX2 (0.64) BTKHPGDSALKBH2NPC1MEN1
SCHEMBL27142132 0.77 PTGS2 (0.43) RXRAGRIN1GRIN2BARLOXL2
SCHEMBL31755983 0.76 RXRA (0.48) PARP1GRM2RXRAGRIN1GRIN2B
SCHEMBL27136757 0.76 RXRA (0.53) RXRAGRIN1GRIN2BARNPC1
SCHEMBL27147409 0.76 RXRA (0.42) PARP1GRM2RXRAGRIN1GRIN2B
SCHEMBL23803912 0.75 GPR52 (0.54) BTK
SCHEMBL30152171 0.75 GPR52 (0.54) BTK
SCHEMBL29427234 0.75 LOXL2 (0.49) SYKLOXL2
SCHEMBL4043325 0.75 LOXL2 (0.49) SYKLOXL2
SCHEMBL27137469 0.75 RXRA (0.41) RXRAGRIN1GRIN2BAREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199908-A1 AMORPHOUS FORM OF A MALT1 INHIBITOR AND FORMULATIONS THEREOF JANSSEN Pharmaceutica NV (BE) 2023-06-28 — — EP claimed
CN-112601747-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 — — CN claimed
WO-2022038252-A1 AMORPHOUS FORM OF A MALT1 INHIBITOR AND FORMULATIONS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-02-24 — — WO claimed
CN-110214136-A Pyrazole derivatives as MALT1 inhibitor 詹森药业有限公司 2019-09-06 — — CN disclosed
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