SCHEMBL7370258

SCHEMBL7370258

COc1cc(O)ccc1-c1nc(C)c(-c2cccnc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
RAF1 P04049 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43

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
SCHEMBL7371110 0.88 PDGFRB (0.46) MKNK1MKNK2PDGFRBPDGFRATUBB4A
SCHEMBL7371561 0.87 PDE2A (0.56) MKNK1MKNK2PDGFRBPDGFRACYP11B1
Hydrochloric Acid SCHEMBL7370882 0.86 PDE2A (0.55) MKNK1MKNK2PDGFRBPDGFRACYP11B1
SCHEMBL7365284 0.86 PDGFRB (0.51) MKNK1MKNK2PDGFRBPDGFRATUBB4A
SCHEMBL7374146 0.84 PDGFRB (0.43) MKNK1MKNK2PDGFRBPDGFRATUBB4A
SCHEMBL7372640 0.84 HPSE (0.44) MKNK1MKNK2PDGFRBPDGFRATUBB4A
SCHEMBL7375472 0.84 TUBB4A (0.47) MKNK1MKNK2PDGFRBPDGFRATUBB4A
Hydrochloric Acid SCHEMBL7369410 0.83 PDE5A (0.58) PDGFRBPDGFRATUBB4ATUBBTUBA3C
SCHEMBL7365933 0.83 PDGFRB (0.45) MKNK1MKNK2PDGFRBPDGFRATUBB4A
SCHEMBL5594741 0.83 CA12 (0.48) MKNK1MKNK2PDGFRBPDGFRATUBB4A

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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed