SCHEMBL30935693

SCHEMBL30935693

O=C(O)c1cnc2cc(-c3cscn3)ccn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDR P35968 5/20 0.38
CHEK2 O96017 1/20 0.38
KAT6A Q92794 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TGFBR1 P36897 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
FLT3 P36888 2/20 0.35
NEK2 P51955 1/20 0.35
USP30 Q70CQ3 2/20 0.35

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
SCHEMBL30935664 0.82 GAA (0.46) CHEK2KDM4EALDH1A1GAANPC1
SCHEMBL14739009 0.77 KDR (0.38) KDRKDM4EALDH1A1GAAPKM
SCHEMBL2052844 0.75 KDM4E (0.43) KDRKDM4EALDH1A1GAAPKM
SCHEMBL9941639 0.73 ALDH1A1 (0.44) KDRKDM4EALDH1A1GAAPKM
SCHEMBL9753645 0.73 NPC1 (0.47) KDM4AKDM4BKDM5CKDM5BKDR
SCHEMBL14740159 0.72 KDM4E (0.66) KDM4EALDH1A1GAAPKMNPC1
SCHEMBL2051117 0.72 KDM4E (0.43) KDRKDM4EALDH1A1GAAPKM
SCHEMBL14756581 0.72 KDM4E (0.43) KDRKDM4EALDH1A1GAAPKM
SCHEMBL16370092 0.72 NPC1 (0.52) KDRKDM4EALDH1A1GAAPKM
SCHEMBL14744038 0.72 FLT3 (0.59) FLT3NEK2USP30

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-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed