SCHEMBL30104252

SCHEMBL30104252

COc1ccc(C(C#N)=CO)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.58
PDE4A P27815 9/20 0.58
PDE4C Q08493 9/20 0.58
PDE4D Q08499 9/20 0.58
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49

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
SCHEMBL29483452 0.85 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL11554004 0.85 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL4996892 0.82 RECQL (0.67) CYP1A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11549697 0.82 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL4996875 0.82 RECQL (0.67) CYP1A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12507433 0.82 RECQL (0.67) CYP1A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8638085 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL8638441 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL11758912 0.81 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL8359619 0.80 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DCYP1A2

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
EP-4110333-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-01-04 EP disclosed