SCHEMBL4190104

SCHEMBL4190104

CCCCCn1c(C(=O)OC)cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.53
JAK3 P52333 6/20 0.53
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
ALK Q9UM73 5/20 0.52
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49

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
SCHEMBL4189778 0.92 SYK (0.55) SYKJAK3CDK4CCND1CCNE1
SCHEMBL4191465 0.86 JAK3 (0.56) SYKJAK3CDK4CCND1ALK
SCHEMBL4199224 0.86 SYK (0.54) SYKJAK3CDK4CCND1ALK
SCHEMBL4191908 0.84 JAK3 (0.54) SYKJAK3CDK4CCND1ALK
SCHEMBL4195845 0.83 CDK4 (0.56) SYKJAK3CDK4CCND1CCNE1
SCHEMBL4202306 0.81 SYK (0.56) SYKJAK3CDK4CCND1ALK
SCHEMBL4191302 0.80 SYK (0.55) SYKJAK3CDK4CCND1ALK
SCHEMBL4196286 0.77 ALK (0.56) SYKJAK3CDK4CCND1CCNE1
SCHEMBL4196578 0.76 ALK (0.55) SYKJAK3CDK4CCND1CCNE1
SCHEMBL4191071 0.75 CDK4 (0.53) SYKJAK3CDK4CCND1CCNE1

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