SCHEMBL4040089

SCHEMBL4040089

NC(=O)Oc1[nH]c2ccncc2c1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.39
PARP1 P09874 2/20 0.39
MAP2 P11137 1/20 0.38

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
SCHEMBL4038757 0.90 MAP2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4042268 0.88 ICAM1 (0.36) MEN1KMT2AICAM1SELECHUK
SCHEMBL4035604 0.87 ACHE (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3835279 0.84 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2053137 0.81 MAP2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3839808 0.78 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035359 0.78 CSNK2A2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4043016 0.78 ROCK2 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035502 0.77 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4039379 0.76 CHUK (0.42) PARP1MAP2ICAM1SELEKDM4E

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