SCHEMBL28037281

SCHEMBL28037281

NC(=O)c1ccn(-c2ccccc2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
RIPK2 O43353 1/20 0.51
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 3/20 0.41
BCAT2 O15382 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
IKBKB O14920 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10719764 0.79 NOTUM (0.49) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL27777814 0.78 PARP1 (0.50) NOTUMRIPK2SMN1; SMN2HSD17B10KDM4E
SCHEMBL4783773 0.77 NOTUM (0.47) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL3433959 0.75 NOTUM (0.49) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL1396731 0.73 MAPK1 (0.58) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL27712881 0.72 SMN1; SMN2 (0.47) NOTUMSMN1; SMN2TSHRDDB1CRBN
Hydrochloric Acid SCHEMBL29908833 0.71 MAPK1 (0.56) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL21812530 0.71 ALDH1A1 (0.49) NOTUMRIPK2MAPK1SMN1; SMN2HSD17B10
SCHEMBL13506760 0.69 ATM (0.46) NOTUMMAPK1SMN1; SMN2HSD17B10KDM4E
SCHEMBL11453643 0.69 NOTUM (0.65) NOTUMSMN1; SMN2HSD17B10KDM4EALDH1A1

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-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN claimed
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN disclosed