SCHEMBL20172034

SCHEMBL20172034

CPNc1nc(Cl)ncc1I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL3644211 0.79 XDH (0.41) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21287682 0.75 ALDH1A1 (0.35) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL30989056 0.75 ALDH1A1 (0.35) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3646724 0.74 LMNA (0.39) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL15584954 0.74 TDP1 (0.39) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2463467 0.74 LMNA (0.39) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL15584140 0.71 STK17B (0.37) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL13442839 0.70 CDK1 (0.37) PIN1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1936119 0.69 KMT2A (0.55) PIN1ALDH1A1L3MBTL1KMT2A
SCHEMBL21287432 0.68 ALDH1A1 (0.35) ALDH1A1L3MBTL1KMT2AMEN1

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
EP-3323811-B1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2019-05-08 EP disclosed
EP-3323811-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM Corporation (JP) 2018-05-23 EP disclosed