SCHEMBL4192080

SCHEMBL4192080

CCCCCn1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.55
CCNK O75909 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
CDK6 Q00534 1/20 0.55
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CCND2 P30279 2/20 0.53
SYK P43405 1/20 0.51
STAT6 P42226 5/20 0.49
EGFR P00533 1/20 0.49
JAK3 P52333 6/20 0.48
JAK2 O60674 5/20 0.47
BRD4 O60885 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4515832 0.83 CCND3 (0.57) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL4189970 0.80 STAT6 (0.65) CCND3CCNA2CDK2CDK4CCND1
SCHEMBL11976969 0.80 CDK4 (0.68) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL16580961 0.79 CCND3 (0.54) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL17958712 0.79 CCND3 (0.51) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL23247497 0.77 WEE1 (0.60) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL17958734 0.77 CCND3 (0.51) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL4200620 0.77 CDK4 (0.51) CCND3CDK2CDK4CCND1CCND2
SCHEMBL16569980 0.77 CCND3 (0.50) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL23444641 0.76 JAK3 (0.76) CCND3CDK4CCND1CCND2JAK3

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