SCHEMBL24296290

SCHEMBL24296290

Cc1ccn2nc(NC(=O)C3CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.50
JAK1 P23458 9/20 0.48
JAK2 O60674 8/20 0.47
IKBKB O14920 1/20 0.46
RIPK2 O43353 1/20 0.46
LCK P06239 1/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
GSK3B P49841 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2B Q14289 1/20 0.46
RIPK1 Q13546 1/20 0.45

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
SCHEMBL25833718 0.84 JAK1 (0.48) KDRJAK1JAK2IKBKBRIPK2
SCHEMBL26847126 0.84 JAK2 (0.47) KDRJAK1JAK2IKBKBRIPK2
SCHEMBL26848583 0.80 JAK2 (0.44) KDRJAK1JAK2IKBKBRIPK2
SCHEMBL4283763 0.75 JAK2 (0.52) KDRJAK1JAK2IKBKBRIPK2
SCHEMBL24296487 0.73 RIPK1 (0.67) RIPK1
SCHEMBL13031280 0.73 JAK1 (0.77) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL1259412 0.73 KDR (0.54) KDRJAK1JAK2
SCHEMBL11916700 0.72 JAK1 (0.69) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL4286235 0.72 TDP2 (0.53) KDRJAK1JAK2IKBKBRIPK2
SCHEMBL42686 0.72 JAK1 (0.64) JAK1JAK2IKBKBRIPK2LCK

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
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed
WO-2022052861-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 成都奥睿药业有限公司 2022-03-17 WO disclosed