SCHEMBL17460410

SCHEMBL17460410

O=C(O)Nc1nn2cccnc2c1-c1ccc(Cl)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 0.60
KCNQ2 O43526 15/20 0.60
KMO O15229 2/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL17468576 0.89 KCNQ3 (0.54) KCNQ3KCNQ2KMONPC1RAB9A
SCHEMBL17460368 0.86 KCNQ3 (0.62) KCNQ3KCNQ2RAB9APDE4BPDE4D
SCHEMBL17468704 0.85 KCNQ3 (0.58) KCNQ3KCNQ2PDE4BPDE4D
SCHEMBL17460381 0.84 KCNQ3 (0.47) KCNQ3KCNQ2KMONPC1RAB9A
SCHEMBL17460387 0.79 JAK2 (0.45) KCNQ3KCNQ2
SCHEMBL3698052 0.78 KCNQ3 (0.61) KCNQ3KCNQ2
SCHEMBL17460397 0.78 KCNQ3 (0.48) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL17468719 0.78 PDE4B (0.52) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL17460369 0.77 PDE4B (0.59) KCNQ3KCNQ2PDE4BPDE4D
SCHEMBL17468695 0.77 PDE4B (0.56) KCNQ3KCNQ2PDE4BPDE4D

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-3172210-A1 PYRAZOLOPYRIMIDINE COMPOUNDS Pfizer Inc (US) 2017-05-31 EP disclosed
WO-2016012896-A1 PYRAZOLOPYRIMIDINE COMPOUNDS PFIZER INC. (US) 2016-01-28 WO disclosed