SCHEMBL14744451

SCHEMBL14744451

CC(C)(N)CCCOCc1ccc2[nH]nc(-c3cnc4c(n3)c(C(=O)NC(C)(C)C)cn4C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.42
CYP2D6 P10635 2/20 0.32
DYRK1A Q13627 2/20 0.32
KIT P10721 1/20 0.31

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
SCHEMBL14736829 0.80 SYK (0.66) SYKCYP2D6DYRK1A
SCHEMBL14738398 0.78 SYK (0.46) SYKCYP2D6
SCHEMBL14737166 0.77 SYK (0.49) SYKCYP2D6
SCHEMBL14738014 0.72 SYK (0.57) SYKCYP2D6
SCHEMBL14751448 0.72 SYK (0.36) SYKCYP2D6
SCHEMBL14751578 0.72 SYK (0.39) SYK
SCHEMBL14737639 0.71 DHPS (0.38) SYKCYP2D6
SCHEMBL18535020 0.71
SCHEMBL14737605 0.71 SYK (0.35) SYK
SCHEMBL14737403 0.70 SYK (0.36) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed