SCHEMBL25419293

SCHEMBL25419293

Nc1ccc2c(C(F)(F)F)c[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
CA5A P35218 1/20 0.39
BACE1 P56817 3/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ULK1 O75385 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
DYRK1A Q13627 2/20 0.32
AR P10275 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL26631452 0.82 ADORA2A (0.37) ALDH1A1KDM4EKMT2AADORA1ADORA2A
SCHEMBL31365785 0.79 CCNT1 (0.43) ALDH1A1KDM4EADORA1ADORA2APRMT5
SCHEMBL21268783 0.79 CCNT1 (0.43) ALDH1A1KDM4EADORA1ADORA2APRMT5
SCHEMBL11590712 0.73 AR (0.55) ALDH1A1KDM4EKMT2AADORA1ADORA2A
SCHEMBL423854 0.69 AXL (0.55) KMT2ADYRK1AGSK3BCCNT1CCNA2
SCHEMBL3827956 0.68 LRRK2 (0.53) CA5ADYRK1ACCNT1CDK9
SCHEMBL1772292 0.67 PRMT5 (0.45) PRMT5WDR77ULK1GSK3BCCNT1
SCHEMBL25935813 0.67 CACNA1H (0.44)
SCHEMBL22264317 0.66 RPS6KA5 (0.42) ALDH1A1KMT2APRMT5WDR77
SCHEMBL2577669 0.66 AR (0.58) ALDH1A1KDM4EKMT2AGAAMAPT

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-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed