SCHEMBL31456993

SCHEMBL31456993

NCc1cc(F)cc(Nc2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.44
RAD52 P43351 1/20 0.43
SOS1 Q07889 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP11B1 P15538 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
IDO1 P14902 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
ADRA2B P18089 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PRKCI P41743 1/20 0.34
CTSD P07339 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
SCHEMBL27374825 1.00 LOXL2 (0.44) LOXL2RAD52SOS1CYP17A1CYP21A2
SCHEMBL27374959 0.84 LOXL2 (0.48) LOXL2SOS1KCNH3IDO1JAK2
SCHEMBL31456969 0.84 LOXL2 (0.48) LOXL2SOS1KCNH3IDO1JAK2
SCHEMBL31457034 0.83 HSD17B10 (0.43) LOXL2SOS1KCNH3KDM4EL3MBTL1
SCHEMBL27374802 0.83 HSD17B10 (0.43) LOXL2SOS1KCNH3KDM4EL3MBTL1
SCHEMBL31457046 0.81 KIF11 (0.46) LOXL2CYP11B1KDM4EL3MBTL1MEN1
SCHEMBL27374686 0.81 KIF11 (0.46) LOXL2CYP11B1KDM4EL3MBTL1MEN1
SCHEMBL31456939 0.81 SOS1 (0.41) SOS1FLT1KDRKDM4EL3MBTL1
SCHEMBL27375511 0.81 SOS1 (0.41) SOS1FLT1KDRKDM4EL3MBTL1
SCHEMBL24010924 0.77 RAD52 (0.57) RAD52SOS1IDO1FLT1KDR

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-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed