SCHEMBL7136537

SCHEMBL7136537

Cc1[nH]c2ccccc2c1C=C1C(=O)Nc2ccc(I)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.54
▸ CCNB1 P14635 4/20 0.54
▸ CDK5 Q00535 3/20 0.54
▸ CDK5R1 Q15078 2/20 0.54
▸ CDK7 P50613 2/20 0.54
▸ AURKB Q96GD4 2/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ MNAT1 P51948 1/20 0.54
▸ CCNB2 O95067 3/20 0.52
▸ CCNB3 Q8WWL7 3/20 0.52
▸ MAPT P10636 4/20 0.50
▸ APP P05067 2/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RAF1 P04049 3/20 0.47
▸ NTRK1 P04629 3/20 0.47
▸ MAP1LC3B Q9GZQ8 2/20 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
SCHEMBL6405756 0.86 ALK (0.56) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL6405753 0.86 ALK (0.56) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5203968 0.86 PDPK1 (0.57) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5203890 0.85 AURKB (0.72) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5469136 0.85 AURKB (0.72) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5841215 0.83 SYK (0.52) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL6403951 0.83 TLK2 (0.55) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5183066 0.83 SYK (0.66) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL5183073 0.83 SYK (0.66) CDK1CCNB1CDK5CDK5R1CDK7
SCHEMBL6411135 0.83 TLK2 (0.55) CDK1CCNB1CDK5CDK5R1CDK7

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 — — US disclosed
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