SCHEMBL4189778

SCHEMBL4189778

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.55
JAK3 P52333 7/20 0.55
ALK Q9UM73 3/20 0.53
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
CCND2 P30279 2/20 0.50
CCND3 P30281 2/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 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
SCHEMBL4190104 0.92 SYK (0.53) SYKJAK3ALKCDK4CCND1
SCHEMBL4199224 0.87 SYK (0.54) SYKJAK3ALKCDK4CCND1
SCHEMBL4191465 0.87 JAK3 (0.56) SYKJAK3ALKCDK4CCND1
SCHEMBL4191908 0.86 JAK3 (0.54) SYKJAK3ALKCDK4CCND1
SCHEMBL4202306 0.82 SYK (0.56) SYKJAK3ALKCDK4CCND1
SCHEMBL4196578 0.82 ALK (0.55) SYKJAK3ALKCDK4CCND1
SCHEMBL4191302 0.81 SYK (0.55) SYKJAK3ALKCDK4CCND1
SCHEMBL4196286 0.78 ALK (0.56) SYKJAK3ALKCDK4CCND1
SCHEMBL4195845 0.76 CDK4 (0.56) SYKJAK3ALKCDK4CCND1
SCHEMBL7512399 0.75 CDK4 (0.81) JAK3CDK4CCND1CCND2CCND3

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