SCHEMBL3351283

SCHEMBL3351283

Clc1cc(-c2ccc(Br)s2)nc2ccnn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.53
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 2/20 0.42
ALOX12 P18054 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 3/20 0.39

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
SCHEMBL14158351 0.84 PDE10A (0.54) PDE10AMAPTALDH1A1NPC1MEN1
SCHEMBL3346532 0.77 CDK2 (0.38) PDE10AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL5454734 0.77 PDE10A (0.53) PDE10AMAPTKDM4ESMN1; SMN2POLB
SCHEMBL12952984 0.73 PDE10A (0.53) PDE10ALMNAHSD17B10KCNN3KCNN1
SCHEMBL5460421 0.72 PDE10A (0.59) PDE10AMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL312516 0.72 PDE10A (0.64) PDE10AMAPTKDM4ERAB9AALDH1A1
SCHEMBL30579493 0.71 PDE10A (0.50) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL20557853 0.71 PDE10A (0.50) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL1018372 0.71 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL5468136 0.71 PDE10A (0.53) PDE10ACASP3SENP8SENP7SENP6

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed