SCHEMBL17023948

SCHEMBL17023948

Brc1ccc2c(c1)c1cc(Br)ccc1c1cc3c(ccc4[nH]c5ccccc5c43)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.54
CCND1 P24385 6/20 0.54
CCNB2 O95067 3/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46

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
SCHEMBL17023957 1.00 CDK4 (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL16536029 0.89 CDK4 (0.66) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL16536115 0.88 CDK4 (0.55) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL12219444 0.84 CDK4 (0.71) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL15848788 0.82 CDK4 (0.46) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL17841968 0.82 CDK4 (0.49) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL22011591 0.81 CDK4 (0.55) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL10044741 0.80 CDK4 (0.53) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL31484361 0.79 CDK4 (0.65) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12776872 0.79 CDK4 (0.65) CDK4CCND1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9647216-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-09 US disclosed
US-9647216-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-09 US disclosed
US-20150243898-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-08-27 US disclosed
US-20150243898-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-08-27 US disclosed