SCHEMBL1777487

SCHEMBL1777487

Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NCCN3CCOCC3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.63
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.49
HPGDS O60760 3/20 0.49
IGF1R P08069 1/20 0.49
PIK3CA P42336 2/20 0.48
RIPK1 Q13546 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.47

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
SCHEMBL1776988 0.86 SYK (0.74) SYKIGF1RRIPK1
SCHEMBL1776508 0.84 SYK (0.68) SYKIGF1RRIPK1
SCHEMBL2318518 0.82 POLB (0.49) SYKCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL1777627 0.81 SYK (0.75) SYKIGF1RRIPK1
SCHEMBL13157584 0.81 SYK (0.72) SYKIGF1RRIPK1
SCHEMBL1777522 0.80 SYK (0.70) SYKIGF1RRIPK1
SCHEMBL12606314 0.79 SYK (0.53) SYKKMT2AIGF1RRIPK1
SCHEMBL1778784 0.79 SYK (0.71) SYKIGF1RRIPK1
SCHEMBL1779125 0.79 SYK (0.71) SYKIGF1RRIPK1
SCHEMBL1777291 0.79 SYK (0.86) SYKIGF1RRIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed