SCHEMBL20404182

SCHEMBL20404182

Cc1ncc(F)c(NC2CCC[C@@H](N)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ BRD4 O60885 1/20 0.46
▸ ATAD2 Q6PL18 1/20 0.46
▸ GABBR2 O75899 4/20 0.43
▸ GABBR1 Q9UBS5 4/20 0.43
▸ CDK2 P24941 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ PTPN11 Q06124 2/20 0.36
▸ ULK1 O75385 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PIM2 Q9P1W9 1/20 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
SCHEMBL10303766 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL17518644 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL29200245 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL10007266 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL9977770 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL16199054 0.84 KMT2A (0.70) KMT2ABRD4ATAD2CDK2PIM1
Hydrochloric Acid SCHEMBL28481711 0.83 KMT2A (0.68) KMT2ABRD4ATAD2CDK2PIM1
Hydrochloric Acid SCHEMBL28481712 0.83 KMT2A (0.68) KMT2ABRD4ATAD2CDK2PIM1
SCHEMBL9977769 0.75 HTT (0.41) KMT2ABTK
SCHEMBL16120992 0.74 KMT2A (0.41) KMT2ABRD4ATAD2GABBR2GABBR1

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
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 — — EP disclosed
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