SCHEMBL4035359

SCHEMBL4035359

NC(=O)Oc1[nH]c2cnccc2c1Sc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
ROCK2 O75116 1/20 0.40
PDE4B Q07343 1/20 0.39
ENPP2 Q13822 1/20 0.39
CHUK O15111 7/20 0.39
ICOSLG O75144 2/20 0.37
ICOS Q9Y6W8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL4043016 0.87 ROCK2 (0.40) ROCK2CHUKICOSLGICOSTUBB4A
SCHEMBL4038757 0.87 MAP2 (0.46) ROCK2CHUKICOSLGICOSALDH1A1
SCHEMBL4042867 0.85 TUBB4A (0.46) ROCK2CHUKICOSLGICOSTUBB4A
SCHEMBL2050145 0.84 MAP2 (0.49) CSNK2A2CSNK2BROCK2PDE4BENPP2
SCHEMBL4036827 0.80 KDM4E (0.43) PDE4BENPP2ALDH1A1TUBB4ATUBB
SCHEMBL4035604 0.79 ACHE (0.40) ROCK2CHUKTUBB4ATUBBTUBA3C
SCHEMBL4042268 0.78 ICAM1 (0.36) CHUKRHEB
SCHEMBL4039379 0.78 CHUK (0.42) ROCK2CHUKICOSLGICOSALDH1A1
SCHEMBL4040089 0.78 TUBB4A (0.41) CHUKALDH1A1LMNATUBB4ATUBB
SCHEMBL3269919 0.76 PDE4B (0.38) PDE4BENPP2TUBB4ATUBBTUBA3C

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