SCHEMBL25880492

SCHEMBL25880492

N#Cc1ccnc(CNC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
VNN1 O95497 3/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
SCN9A Q15858 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MBOAT4 Q96T53 1/20 0.37
GRM4 Q14833 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MYC P01106 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MAPK1 P28482 1/20 0.35
SETDB1 Q15047 1/20 0.35

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
SCHEMBL16517596 0.86 VNN1 (0.41) ADORA2AADORA1VNN1SMN1; SMN2POLB
SCHEMBL16534321 0.78 CCNC (0.41) NAMPT
SCHEMBL24510177 0.78 KDM5B (0.40) VNN1KDM4C
SCHEMBL23445929 0.78 RECQL (0.42) ADORA2AADORA1RECQLSMN1; SMN2POLB
SCHEMBL25087065 0.77 LOXL2 (0.46) VNN1MBOAT4CYP2C9CYP2C19MAPK1
SCHEMBL25044387 0.76 RAB9A (0.44) RECQLSMN1; SMN2POLB
SCHEMBL29129138 0.75 VNN1 (0.38) ADORA2AADORA1VNN1MBOAT4GRM4
SCHEMBL16532586 0.73 MBOAT4 (0.43) VNN1MBOAT4CYP2C19KDM4CMAPK1
SCHEMBL7666624 0.73 MBOAT4 (0.40) VNN1MBOAT4GRM4CYP2C19KDM4C
SCHEMBL481078 0.73 NOTUM (0.43) VNN1RECQLMBOAT4GRM4KDM4C

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-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO disclosed