SCHEMBL17263290

SCHEMBL17263290

Cc1cnc(-c2ccc(-c3ccccc3)cc2C)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.48
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ESR2 Q92731 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.35
MEN1 O00255 3/20 0.35

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
SCHEMBL17263291 0.88 CCNB2 (0.39) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL13320917 0.88 JAK3 (0.48) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL2515204 0.81 JAK3 (0.58) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL2513929 0.80 JAK3 (0.56) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL17263279 0.80 ESR2 (0.40) ESR2PDE3BPDE3ARAB9ANPC1
SCHEMBL17263289 0.79 JAK3 (0.46) JAK3RAB9ANPC1SMN1; SMN2GAA
SCHEMBL3335530 0.78 JAK3 (0.56) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL29476061 0.78 JAK3 (0.56) JAK3CCNB2CDK1CCNB1CDK5
SCHEMBL16948786 0.78 ALDH1A1 (0.44) ESR2RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL16949227 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187689-B2 Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-17 US disclosed