SCHEMBL22609558

SCHEMBL22609558

NC(=O)c1nn(-c2ccc(C(=O)O)nc2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.39
P4HA1 P13674 1/20 0.39
MIF P14174 1/20 0.39
KCNJ1 P48048 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RORC P51449 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL21070060 0.84 MAPK1 (0.44) KCNJ1KDM4EALDH1A1KMT2AHPGD
SCHEMBL21070699 0.82 CHRNB2 (0.35) KCNJ1KDM4EALDH1A1KMT2AMEN1
SCHEMBL31664146 0.82 CHRNB2 (0.35) KCNJ1KDM4EALDH1A1KMT2AMEN1
SCHEMBL21070453 0.77 GABRP (0.33) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL3568441 0.77 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL6505228 0.75 KDM4E (0.55) KDM4EALDH1A1KMT2AMAP4K4GAA
SCHEMBL6470229 0.75 CA9 (0.47) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL12800042 0.74 IRAK4 (0.50) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL21069440 0.73 NPC1 (0.43) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL21070649 0.72 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AL3MBTL1GAA

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
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed