SCHEMBL4042268

SCHEMBL4042268

NC(=O)Oc1[nH]c2ccncc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
CHEK2 O96017 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RHEB Q15382 1/20 0.34
CHUK O15111 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4040089 0.88 TUBB4A (0.41) ICAM1SELEMEN1KMT2ACHUK
SCHEMBL4035604 0.80 ACHE (0.40) CHUK
SCHEMBL4038757 0.79 MAP2 (0.46) ICAM1SELEMEN1KMT2ACHUK
SCHEMBL4035359 0.78 CSNK2A2 (0.42) RHEBCHUK
SCHEMBL4035489 0.77 SLC6A4 (0.43) CHEK2MEN1KMT2ARHEB
SCHEMBL6529434 0.75 IDO1 (0.47) MEN1KMT2ACHUK
SCHEMBL3267982 0.74 MEN1 (0.34) CHEK2MEN1KMT2ARHEBTP53
SCHEMBL3835279 0.72 TUBB4A (0.56) MEN1KMT2A
SCHEMBL4043016 0.71 ROCK2 (0.40) CHUKTP53
SCHEMBL6531139 0.70 IDO1 (0.43) MEN1KMT2ACHUK

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-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed