SCHEMBL7558097

SCHEMBL7558097

N#Cc1ccccc1C=Cc1nc2ccsc2c(=O)n1-c1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL7515631 0.90 PDE7A (0.43) PDE7AALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL7511743 0.89 TP53 (0.51) PDE7ATP53LMNAPOLBKMT2A
SCHEMBL7517191 0.89 TP53 (0.51) PDE7ATP53LMNAPOLBKMT2A
SCHEMBL7517887 0.86 KMT2A (0.52) ALDH1A1SMN1; SMN2TP53LMNAPOLB
SCHEMBL6618392 0.85 TP53 (0.56) ALDH1A1TP53LMNAPOLBKMT2A
SCHEMBL7507712 0.85 TP53 (0.53) PDE7AALDH1A1SMN1; SMN2TP53POLB
SCHEMBL7507708 0.85 TP53 (0.53) PDE7AALDH1A1SMN1; SMN2TP53POLB
SCHEMBL6618396 0.85 TP53 (0.56) ALDH1A1TP53LMNAPOLBKMT2A
SCHEMBL7509354 0.83 PDE7A (0.41) PDE7AALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL7509348 0.83 PDE7A (0.41) PDE7AALDH1A1SMN1; SMN2TP53LMNA

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-0807633-B1 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER (US) 2002-11-06 EP disclosed
EP-0807633-A2 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER INC. (US) 1997-11-19 EP disclosed