SCHEMBL4199221

SCHEMBL4199221

CCC(CC)n1c(CCO)cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.54
SYK P43405 11/20 0.52
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
JAK3 P52333 3/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
JAK2 O60674 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL13607285 0.95 SYK (0.54) ALKSYKCDK4CCND1CCNE1
SCHEMBL4191941 0.94 ALK (0.55) ALKSYKCDK4CCND1CCNE1
SCHEMBL11976965 0.90 CDK4 (0.53) ALKSYKCDK4CCND1CCNE1
SCHEMBL11984263 0.89 SYK (0.52) ALKSYKCDK4CCND1CCNE1
SCHEMBL4186969 0.88 ALK (0.56) ALKSYKCDK4CCND1CCNE1
SCHEMBL4196286 0.88 ALK (0.56) ALKSYKCDK4CCND1CCNE1
SCHEMBL11977171 0.87 SYK (0.49) ALKSYKCDK4CCND1CCNE1
SCHEMBL4196578 0.87 ALK (0.55) ALKSYKCDK4CCND1CCNE1
SCHEMBL11977172 0.86 SYK (0.54) ALKSYKCDK4CCND1CCNE1
SCHEMBL4187219 0.86 ALK (0.54) ALKSYKCDK4CCND1CCNE1

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-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed