SCHEMBL23723784

SCHEMBL23723784

CC(Oc1cc(Br)cc2c1C(=O)NCC2)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.40
PARP11 Q9NR21 3/20 0.40
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PARP1 P09874 4/20 0.37
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
RORC P51449 1/20 0.30
DHODH Q02127 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL23723834 1.00 PARP10 (0.40) PARP10PARP11PIM1PIM2PARP1
SCHEMBL23723816 0.85 PARP10 (0.44) PARP10PARP11PARP1KDR
SCHEMBL24069033 0.82 PARP10 (0.31) PARP10PARP11PIM1PIM2RORC
SCHEMBL21593327 0.78 PARP10 (0.47) PARP10PARP11PARP1NCOA1NCOA3
SCHEMBL28900724 0.77 PARP10 (0.39) PARP10PARP11PARP1
SCHEMBL23723787 0.75 KDM4E (0.37) RORCDHODH
SCHEMBL23723789 0.75 KDM4E (0.37) RORCDHODH
SCHEMBL15813600 0.75 RORC (0.38) PARP10PARP11PIM1PIM2PARP1
SCHEMBL21593493 0.75 PARP10 (0.44) PARP10PARP11PARP1
SCHEMBL21593302 0.75 PARP10 (0.44) PARP10PARP11PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100124-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-12-14 EP disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed