SCHEMBL24852500

SCHEMBL24852500

Cc1cnc(-c2nnc(Cc3cc4ccccc4[nH]c3=O)o2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ IL4I1 Q96RQ9 5/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24852000 0.80 EGFR (0.55) GUSBIL4I1ALDH1A1HPGDHSD17B10
SCHEMBL24852507 0.80 IL4I1 (0.51) PDE10AIL4I1KDM4EALDH1A1HPGD
SCHEMBL24852509 0.79 GUSB (0.43) GUSBPDE10AIL4I1KDM4EALDH1A1
SCHEMBL24851907 0.79 GUSB (0.47) GUSBPDE10AIL4I1KDM4EALDH1A1
SCHEMBL24851924 0.78 GUSB (0.46) GUSBPDE10AIL4I1KDM4EALDH1A1
SCHEMBL24852506 0.78 KDM4E (0.46) GUSBPDE10AIL4I1KDM4EALDH1A1
SCHEMBL24851962 0.77 IL4I1 (0.51) PDE10AIL4I1KDM4EALDH1A1HPGD
SCHEMBL24852045 0.77 IL4I1 (0.43) GUSBPDE10AIL4I1KDM4EALDH1A1
SCHEMBL24852005 0.77 GUSB (0.47) GUSBPDE10AIL4I1HSD17B10EGFR
SCHEMBL24852002 0.77 IL4I1 (0.44) GUSBPDE10AIL4I1KDM4EALDH1A1

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-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
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