SCHEMBL24327352

SCHEMBL24327352

CC1Cc2c(N)ccc(N3CCC(N4CCN(C)CC4)CC3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.36
NR4A1 P22736 1/20 0.36
FGFR3 P22607 4/20 0.36
RAD52 P43351 1/20 0.35
ACVR1 Q04771 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL24328518 0.83 ALDH1A1 (0.40) POLBGAAMEN1USP2KMT2A
SCHEMBL26655419 0.80 GAA (0.39) POLBGAAMEN1USP2KMT2A
SCHEMBL30206323 0.78 ALDH1A1 (0.47) POLBGAAKDM4EMAPTHTT
SCHEMBL24107836 0.78 ALDH1A1 (0.47) POLBGAAKDM4EMAPTHTT
SCHEMBL24328564 0.76 GAA (0.43) POLBGAAMEN1USP2KMT2A
SCHEMBL28313862 0.76 ALDH1A1 (0.51) POLBGAAMEN1USP2KMT2A
SCHEMBL29661314 0.76 KDM4E (0.38) POLBGAAKDM4EMAPTHTT
SCHEMBL24327660 0.76 KDM4E (0.38) POLBGAAKDM4EMAPTHTT
SCHEMBL26407202 0.76 ADRA2C (0.70) POLBGAAMEN1USP2KMT2A
SCHEMBL22587670 0.74 FGFR3 (0.39) POLBGAAKDM4EMAPTHTT

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-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed