SCHEMBL24254064

SCHEMBL24254064

O=C(CBr)c1ccc(-n2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 1/20 0.50
PTPN1 P18031 5/20 0.49
GSK3B P49841 6/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.44
HDAC4 P56524 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DGAT1 O75907 1/20 0.42

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
Bromide SCHEMBL8310882 0.98 KDM4E (0.49) KDM4EALDH1A1MAPK1NOTUMPTPN1
SCHEMBL20646989 0.84 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL7412453 0.81 NR4A2 (0.51) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL17303476 0.81 NOTUM (0.58) KDM4EALDH1A1MAPK1NOTUMPTPN1
SCHEMBL16563643 0.80 MAPT (0.51) KDM4EALDH1A1MAPK1NOTUMPTPN1
SCHEMBL24253972 0.80 KDM4E (0.46) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL11501154 0.80 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMPTPN1
SCHEMBL321724 0.80 LMNA (0.61) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL3407808 0.79 PLOD2 (0.58) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL14376685 0.79 LMNA (0.69) KDM4EALDH1A1LMNARXFP1

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-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed