SCHEMBL20744693

SCHEMBL20744693

N#CCCC1(C#N)CCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
POLB P06746 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
SCHEMBL2154404 0.76 ALDH1A1 (0.43) ALDH1A1KDM1A
SCHEMBL17446896 0.75
SCHEMBL1504251 0.74
SCHEMBL11586410 0.70
SCHEMBL16419574 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3840377 0.70 ALDH1A1 (0.33) ALDH1A1KDM1A
SCHEMBL20724937 0.70 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL7171314 0.70 NPC1 (0.32) OPRM1OPRL1
SCHEMBL17445671 0.70 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL23549092 0.69

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-3668858-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL AND RELATED DERIVATIVES Pfizer Inc (US) 2020-06-24 EP claimed
WO-2019034973-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL AND RELATED DERIVATIVES PFIZER INC. (US) 2019-02-21 WO claimed