SCHEMBL9049572

SCHEMBL9049572

C=CCNc1nc(Cl)nc2c1ncn2CC=C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.50
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
YTHDC1 Q96MU7 5/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1355050 0.80 P2RX7 (0.48) ALDH1A1YTHDC1NPC1HPGDRAB9A
SCHEMBL29601580 0.80 P2RX7 (0.48) ALDH1A1YTHDC1NPC1HPGDRAB9A
SCHEMBL30586405 0.77 PDE8A (0.39) ALDH1A1YTHDC1NPC1HPGDRAB9A
SCHEMBL30586367 0.77 YTHDC1 (0.38) CDK1ALDH1A1YTHDC1NPC1HPGD
SCHEMBL3441002 0.77 CDK1 (0.54) CDK1
SCHEMBL16105004 0.74 ALDH1A1 (0.54) CDK1ALDH1A1L3MBTL1NPC1HPGD
SCHEMBL7939007 0.70 ALDH1A1 (0.51) CDK1ALDH1A1L3MBTL1NPC1HPGD
SCHEMBL5999067 0.69 ALDH1A1 (0.40) ALDH1A1YTHDC1NPC1HPGDRAB9A
SCHEMBL2054791 0.69 HSP90AB1 (0.52)
SCHEMBL8348688 0.69 HDAC1 (0.64) CDK1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673376-B1 BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR (FR) 1996-05-22 EP disclosed
US-5508277-A Bicyclic pyrimidines ADIR ET COMPAGNIE (FR) 1996-04-16 US disclosed
EP-0673376-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS. ADIR (FR) 1995-09-27 EP disclosed
WO-1994013668-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR ET COMPAGNIE (FR) 1994-06-23 WO disclosed