SCHEMBL20712203

SCHEMBL20712203

Brc1ccc2c(c1)[nH]c1[nH]c3ccccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.59
CDK1 P06493 4/20 0.59
CCNB1 P14635 4/20 0.59
CCNB3 Q8WWL7 4/20 0.59
CDK4 P11802 3/20 0.59
CCND1 P24385 3/20 0.59
CDK5 Q00535 3/20 0.59
CDK5R1 Q15078 3/20 0.59
CCNE2 O96020 2/20 0.59
CCNE1 P24864 2/20 0.59
CDK2 P24941 2/20 0.59
CAMK2B Q13554 2/20 0.59
CAMK2G Q13555 2/20 0.59
CAMK2D Q13557 2/20 0.59
CAMK2A Q9UQM7 2/20 0.59
CCNT1 O60563 1/20 0.59
EIF2AK2 P19525 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK9 P50750 1/20 0.59
GSK3B P49841 4/20 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
SCHEMBL30286037 0.84 AHR (0.64) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL25294 0.84 AHR (0.64) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL29814236 0.84 AHR (0.64) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL4499247 0.82 ALDH1A1 (0.60) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL20712204 0.80 CDK4 (0.43) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL24425669 0.78 CCNE2 (0.60) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL9709050 0.78 GAA (0.67) CCNB2CDK1CCNB1CCNB3CDK4
SCHEMBL1899929 0.76 CDK4 (0.57) CCNB2CDK1CCNB1CCNB3CDK4
Carbazole SCHEMBL28178066 0.75 ALDH1A1 (0.74) MAPTMEN1LMNABLMPMP22
SCHEMBL18758421 0.75 CCNB2 (0.49) CCNB2CDK1CCNB1CCNB3CDK4

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
WO-2019027163-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-02-07 WO disclosed