SCHEMBL4222803

SCHEMBL4222803

[Pb].c1ncc2[nH]ncc2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
EGFR P00533 3/20 0.35
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
CDK2 P24941 1/20 0.32
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
CHEK1 O14757 1/20 0.30
HTT P42858 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL8821 0.98
SCHEMBL29506231 0.98
Iodide SCHEMBL1296857 0.95 DYRK1A (0.45) DYRK1AEGFRHSP90AA1IDO1CDK2
Phosphine SCHEMBL27502321 0.95 DYRK1A (0.45) DYRK1AEGFRHSP90AA1IDO1CDK2
Ammonia Solution, Strong SCHEMBL28492555 0.95 DYRK1A (0.45) DYRK1AEGFRHSP90AA1IDO1CDK2
Hydrochloric Acid SCHEMBL18284548 0.95 DYRK1A (0.45) DYRK1AEGFRHSP90AA1IDO1CDK2
Bromide SCHEMBL26621962 0.95 DYRK1A (0.45) DYRK1AEGFRHSP90AA1IDO1CDK2
Hydrazine SCHEMBL28204704 0.93 DYRK1A (0.44) DYRK1AEGFRHSP90AA1IDO1CDK2
Cyanide SCHEMBL27725574 0.93 DYRK1A (0.44) DYRK1AEGFRHSP90AA1IDO1CDK2
SCHEMBL26621980 0.90 DYRK1A (0.41) DYRK1AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222441-A1 Materials and Methods Relating to Nano-Tags and Nano-Barcodes CALLIDA GENOMICS, INC. 2016-08-04 US disclosed
US-20090246879-A1 Materials and Methods Relating to Nano-Tags and Nano-Brands CALLIDA GENOMICS (US) 2009-10-01 US disclosed