SCHEMBL30720288

SCHEMBL30720288

CC1CN(c2ccc(C#Cc3ccc(F)cc3)cc2)CCN1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADRA2A P08913 13/20 0.47
ADRA2C P18825 13/20 0.47
ADRA2B P18089 12/20 0.47
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL15858027 0.91 ADRA2A (0.52) TP53KDM4EADRA2AADRA2CADRA2B
SCHEMBL15383525 0.91 ADRA2A (0.52) TP53KDM4EADRA2AADRA2CADRA2B
SCHEMBL18550826 0.80 KDM4E (0.51) TP53KDM4EADRA2AADRA2CADRA2B
SCHEMBL10293570 0.76 ADRA2A (0.52) ADRA2AADRA2CADRA2B
SCHEMBL17898055 0.76 ADRA2A (0.52) ADRA2AADRA2CADRA2B
SCHEMBL81498 0.76 ADRA2A (0.52) ADRA2AADRA2CADRA2B
SCHEMBL24518340 0.74 CDK4 (0.47) ADRA2AADRA2CADRA2B
SCHEMBL1814699 0.74 ADRA2C (0.56) TP53KDM4EADRA2AADRA2CADRA2B
SCHEMBL15858055 0.74 ADRA2A (0.52) KDM4EADRA2AADRA2CADRA2BNOTUM
SCHEMBL188069 0.74 ADRA2C (0.56) TP53KDM4EADRA2AADRA2CADRA2B

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-2024002379-A1 COMPOUND USED AS WDR5 INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE OF COMPOUND 甘李药业股份有限公司 2024-01-04 WO disclosed