SCHEMBL18524779

SCHEMBL18524779

Cc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)CO)c4n3)nn(CCN3CCOCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.58
KCNH2 Q12809 6/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2D6 P10635 4/20 0.44

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
SCHEMBL18524832 0.97 SYK (0.60) SYKKCNH2CYP2C9CYP2D6
SCHEMBL18524638 0.90 SYK (0.53) SYKKCNH2CYP2C9CYP2D6
SCHEMBL14751541 0.88 SYK (0.74) SYKKCNH2CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL14738481 0.87 SYK (0.73) SYKKCNH2CYP2C9CYP2D6
SCHEMBL18524549 0.87 SYK (0.71) SYKKCNH2CYP2C9CYP2D6
SCHEMBL18524877 0.86 SYK (0.62) SYKKCNH2CYP2C9CYP2D6
SCHEMBL18524867 0.86 SYK (0.78) SYKKCNH2CYP2C9CYP2D6
SCHEMBL14751462 0.85 SYK (0.76) SYKKCNH2CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL14737354 0.84 SYK (0.75) SYKKCNH2CYP2C9CYP2D6
SCHEMBL14739437 0.81 SYK (0.56) SYKKCNH2CYP2C9CYP2D6

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed