SCHEMBL16276646

SCHEMBL16276646

Brc1ccc2c(c1)[nH]c1sc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CCNB2 O95067 4/20 0.46
CDK1 P06493 4/20 0.46
CCNB1 P14635 4/20 0.46
CCNB3 Q8WWL7 4/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
CAMK2B Q13554 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46
CAMK2A Q9UQM7 2/20 0.46
CCNE2 O96020 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CCNT1 O60563 1/20 0.46
EIF2AK2 P19525 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK9 P50750 1/20 0.46
MEN1 O00255 3/20 0.42

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
SCHEMBL31606611 0.81 TNKS (0.59) CDK4CCND1MEN1KMT2ANPSR1
SCHEMBL573921 0.81 TNKS (0.59) CDK4CCND1MEN1KMT2ANPSR1
SCHEMBL20705969 0.81 CDK4 (0.37) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL31005005 0.78 CDK4 (0.46) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL14789657 0.78 CDK4 (0.43) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL18645882 0.78 CDK4 (0.46) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL24073693 0.75 MEN1 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL18647209 0.75 MAPT (0.45) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL574118 0.73 GPR3 (0.52) CDK4CCND1MEN1KMT2ANPSR1
SCHEMBL16946908 0.72 GPR3 (0.40) CDK4CCND1CCNB2CDK1CCNB1

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 3 patents. 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
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
WO-2014193153-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 (KR) 2014-12-04 WO disclosed