SCHEMBL24670650

SCHEMBL24670650

NCCNc1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HDAC4 P56524 1/20 0.39
SLC22A12 Q96S37 1/20 0.36
SYK P43405 1/20 0.36
CDK7 P50613 1/20 0.34
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PRKCH P24723 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCD Q05655 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
HTT P42858 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PKM P14618 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL30811855 0.81 EGFR (0.38) KDM4EHDAC4SLC22A12POLBHCAR2
SCHEMBL1419363 0.81 KDM4E (0.41) KDM4ESLC22A12POLBHCAR2ROCK2
SCHEMBL1419851 0.78 CHRNB2 (0.43) KDM4ESLC22A12POLBHCAR2HTT
SCHEMBL15365377 0.77 KDR (0.43) HTTSMN1; SMN2
SCHEMBL23912766 0.77 KDM4E (0.34) KDM4EHDAC4SLC22A12HTTPKM
SCHEMBL31313551 0.77 HTR7 (0.38) KDM4EHTTPKMALDH1A1NPC1
SCHEMBL748039 0.76 KDM4E (0.43) KDM4EPOLBHCAR2ROCK2ROCK1
SCHEMBL23601345 0.76 KDM4E (0.36) KDM4EHDAC4SLC22A12POLBHCAR2
SCHEMBL23576878 0.76 SLC22A12 (0.41) KDM4EHDAC4SLC22A12POLBHCAR2
SCHEMBL22354069 0.74 HDAC4 (0.49) KDM4EHDAC4POLBHCAR2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed