SCHEMBL25060474

SCHEMBL25060474

CCOC(=O)c1[nH]nc(-c2ccc(Nc3ccccc3)c(C=N)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ HPGDS O60760 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ SQOR Q9Y6N5 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ AURKA O14965 2/20 0.36

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
SCHEMBL19624856 0.88 RAB9A (0.42) HPGDSATMTP53SMN1; SMN2ALDH1A1
SCHEMBL19544473 0.77 SCN9A (0.51) HPGDSTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19544753 0.72 HPGDS (0.46) HPGDSSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL19544895 0.71 KDM4E (0.44) HPGDSSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL19624962 0.69 RAB9A (0.41) ATMTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19545219 0.68 MAPT (0.47) TP53SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL19624888 0.67 ALDH1A1 (0.40) FNTAFNTBHPGDSSMN1; SMN2ALDH1A1
SCHEMBL19544636 0.67 KDM4E (0.39) HPGDSTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19544896 0.67 NPSR1 (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1456158 0.67 KMT2A (0.53) TP53SMN1; SMN2ALDH1A1KDM4EHPGD

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
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
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