SCHEMBL29871192

SCHEMBL29871192

CNC(=O)c1n[nH]c2cc(Br)ccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.64
YTHDC1 Q96MU7 1/20 0.63
PAK1 Q13153 5/20 0.57
DYRK1A Q13627 4/20 0.57
JAK2 O60674 2/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
GSK3B P49841 1/20 0.52
PDPK1 O15530 1/20 0.50
FLT3 P36888 4/20 0.48
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
MAP4K1 Q92918 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
SCHEMBL21811353 1.00 IDO1 (0.64) IDO1YTHDC1PAK1DYRK1AJAK2
SCHEMBL31182067 0.90 IDO1 (0.60) IDO1YTHDC1PAK1DYRK1AJAK2
SCHEMBL13386937 0.88 YTHDC1 (0.63) IDO1YTHDC1PAK1DYRK1AJAK2
SCHEMBL30301502 0.83 DYRK1A (0.61) IDO1YTHDC1PAK1DYRK1AJAK2
SCHEMBL15077318 0.83 DYRK1A (0.61) IDO1YTHDC1PAK1DYRK1AJAK2
SCHEMBL30258217 0.82 KDM4E (0.63) IDO1DYRK1AJAK2GSK3BPDPK1
SCHEMBL498163 0.82 KDM4E (0.63) IDO1DYRK1AJAK2GSK3BPDPK1
SCHEMBL261067 0.81 IDO1 (0.62) IDO1DYRK1AJAK2GSK3BPDPK1
SCHEMBL30075258 0.81 IDO1 (0.62) IDO1DYRK1AJAK2GSK3BPDPK1
SCHEMBL30912958 0.80 IDO1 (0.77) IDO1DYRK1AJAK2JAK1GSK3B

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
EP-4037772-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2022-08-10 EP disclosed