SCHEMBL23409494

SCHEMBL23409494

NC(=O)Cc1ncc2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.39
CDK2 P24941 3/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
PAK1 Q13153 1/20 0.36
NEK2 P51955 2/20 0.35
PARP1 P09874 1/20 0.34
POLA1 P09884 1/20 0.34
MAP3K7 O43318 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
NUAK1 O60285 1/20 0.33
JAK2 O60674 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
SCHEMBL31618832 0.85 ALDH1A1 (0.47) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL1797757 0.84 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL28126988 0.84 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL23779416 0.78 ALDH1A1 (0.44) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL11200783 0.78 ALDH1A1 (0.58) ALDH1A1RXFP1KDM4ECDK2CDK1
Iodide SCHEMBL28673351 0.77 ALDH1A1 (0.53) ALDH1A1RXFP1KDM4ECDK2CDK1
Water SCHEMBL28488923 0.76 ALDH1A1 (0.56) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL5325201 0.76 SLC7A5 (0.47) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL21274620 0.75 ALDH1A1 (0.44) ALDH1A1RXFP1KDM4ECDK2CDK1
SCHEMBL27658630 0.75 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECDK2CDK1

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-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 EP disclosed
WO-2021108649-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2021-06-03 WO disclosed