SCHEMBL30728660

SCHEMBL30728660

O=C(Nc1cncc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.70
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
KCNK3 O14649 1/20 0.59
LMNA P02545 1/20 0.58
BCAT2 O15382 1/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TAS2R14 Q9NYV8 1/20 0.58
TRPA1 O75762 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
NAMPT P43490 1/20 0.55
EPHX2 P34913 2/20 0.54
GAA P10253 1/20 0.52
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51

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
SCHEMBL485959 0.86 NPC1 (0.62) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL27070948 0.86 NAMPT (0.56) P2RX1NPC1RAB9AMEN1KMT2A
SCHEMBL30728722 0.86 NAMPT (0.56) P2RX1NPC1RAB9AMEN1KMT2A
SCHEMBL485794 0.83 KCNK3 (0.61) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL23447713 0.83 P2RX1 (1.00) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL13736960 0.81 TAS2R14 (0.55) P2RX1RAB9ALMNAMEN1KMT2A
SCHEMBL4683413 0.80 KCNK3 (0.88) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL11339882 0.80 NPC1 (0.64) NPC1RAB9AKCNK3BCAT2MEN1
SCHEMBL2564890 0.79 NPC1 (1.00) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL2480462 0.79 TAS2R14 (0.54) MEN1KMT2ATAS2R14CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP claimed
EP-4558490-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP claimed
CN-119585248-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-07 CN claimed
CN-119562946-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-04 CN claimed
WO-2024017877-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO claimed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO claimed
EP-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP disclosed
CN-119585248-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-07 CN disclosed
CN-119562946-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-04 CN disclosed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO disclosed