SCHEMBL25254249

SCHEMBL25254249

C[C@@H](Nc1cccc2c1[nH]c1ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
KIF11 P52732 3/20 0.49
PARP14 Q460N5 8/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX5 P09917 1/20 0.45
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
VDR P11473 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL25291036 1.00 EGFR (0.56) EGFRKIF11PARP14KMT2AMEN1
SCHEMBL30455337 0.85 AR (0.51) EGFRKMT2AMEN1ALOX5
SCHEMBL25255550 0.85 AR (0.51) EGFRKMT2AMEN1ALOX5
SCHEMBL18027646 0.75 MEN1 (0.53) KMT2AMEN1HTTKDM4E
SCHEMBL27442487 0.75 MEN1 (0.46) EGFRKMT2AMEN1
SCHEMBL7567033 0.75 CA12 (0.53) KMT2AMEN1TP53MAPTHTT
SCHEMBL20887128 0.74 KIF11 (0.60) KIF11PARP14KMT2AMEN1JAK2
SCHEMBL9490444 0.74 KIF11 (0.59) KIF11PARP14KMT2AMEN1JAK2
SCHEMBL30346387 0.71 MAPT (0.59) EGFRKIF11PARP14KMT2AMEN1
SCHEMBL8415803 0.71 MAPT (0.59) EGFRKIF11PARP14KMT2AMEN1

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
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed